Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T75498 | Target Info | |||
| Target Name | Quinone reductase 2 (NQO2) | ||||
| Synonyms | Quinone oxidoreductase 2; Qui reductase 2; QR2; NRH:quinone oxidoreductase 2; NRH:qui oxidoreductase 2; NQO2; NAD(P)H qui oxidoreductase 2 | ||||
| Target Type | Successful Target | ||||
| Gene Name | NQO2 | ||||
| Biochemical Class | Diphenol donor oxidoreductase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Melatonin | Ligand Info | |||||
| Structure Description | Crystal structure of fad quinone reductase 2 in complex with melatonin at 1.4A | PDB:4QOG | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | Yes | [1] |
| PDB Sequence |
GKKVLIVYAH
11 QEPKSFNGSL21 KNVAVDELSR31 QGCTVTVSDL41 YAMNFEPRAT51 DKDITGTLSN 61 PEVFNYGVET71 HEAYKQRSLA81 SDITDEQKKV91 READLVIFQF101 PLYWFSVPAI 111 LKGWMDRVLC121 QGFAFDIPGF131 YDSGLLQGKL141 ALLSVTTGGT151 AEMYTKTGVN 161 GDSRYFLWPL171 QHGTLHFCGF181 KVLAPQISFA191 PEIASEEERK201 GMVAAWSQRL 211 QTIWKEEPIP221 CTAHWHFG
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Prazosin | Ligand Info | |||||
| Structure Description | X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | PDB:3OWX | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [2] |
| PDB Sequence |
GKKVLIVYAH
11 QEPKSFNGSL21 KNVAVDELSR31 QGCTVTVSDL41 YAMNFEPRAT51 DKDITGTLSN 61 PEVFNYGVET71 HEAYKQRSLA81 SDITDEQKKV91 READLVIFQF101 PLYWFSVPAI 111 LKGWMDRVLC121 QGFAFDIPGF131 YDSGLLQGKL141 ALLSVTTGGT151 AEMYTKTGVN 161 GDSRYFLWPL171 QHGTLHFCGF181 KVLAPQISFA191 PEIASEEERK201 GMVAAWSQRL 211 QTIWKEEPIP221 CTAHWHF
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| Ligand Name: Doxorubicin | Ligand Info | |||||
| Structure Description | Oxidized quinone reductase 2 in complex with doxorubicin | PDB:4ZVM | ||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [3] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DM2 or .DM22 or .DM23 or :3DM2;style chemicals stick;color identity;select .A:104 or .A:105 or .A:106 or .A:149 or .A:150 or .A:151 or .A:154 or .A:155 or .A:161 or .A:191 or .A:193 or .A:194; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Dopamine | Ligand Info | |||||
| Structure Description | Quinone Reductase 2 in Complex with Dopamine | PDB:2QMZ | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [4] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LDP or .LDP2 or .LDP3 or :3LDP;style chemicals stick;color identity;select .A:105; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Imatinib | Ligand Info | |||||
| Structure Description | Quinone Reductase 2 | PDB:3FW1 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [5] |
| PDB Sequence |
GKKVLIVYAH
11 QEPKSFNGSL21 KNVAVDELSR31 QGCTVTVSDL41 YAMNFEPRAT51 DKDITGTLSN 61 PEVFNYGVET71 HEAYKQRSLA81 SDITDEQKKV91 READLVIFQF101 PLYWFSVPAI 111 LKGWMDRVLC121 QGFAFDIPGF131 YDSGLLQGKL141 ALLSVTTGGT151 AEMYTKTGVN 161 GDSRYFLWPL171 QHGTLHFCGF181 KVLAPQISFA191 PEIASEEERK201 GMVAAWSQRL 211 QTIWKEEPIP221 CTAHWHFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .STI or .STI2 or .STI3 or :3STI;style chemicals stick;color identity;select .A:105 or .A:106 or .A:149 or .A:150 or .A:151 or .A:154 or .A:155 or .A:161 or .A:191 or .A:193 or .A:194; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Imiquimod | Ligand Info | |||||
| Structure Description | Structure of the human quinone reductase 2 (NQO2) in complex with imiquimod | PDB:5LBT | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [6] |
| PDB Sequence |
GKKVLIVYAH
11 QEPKSFNGSL21 KNVAVDELSR31 QGCTVTVSDL41 YAMNLEPRAT51 DKDITGTLSN 61 PEVFNYGVET71 HEAYKQRSLA81 SDITDEQKKV91 READLVIFQF101 PLYWFSVPAI 111 LKGWMDRVLC121 QGFAFDIPGF131 YDSGLLQGKL141 ALLSVTTGGT151 AEMYTKTGVN 161 GDSRYFLWPL171 QHGTLHFCGF181 KVLAPQISFA191 PEIASEEERK201 GMVAAWSQRL 211 QTIWKEEPIP221 CTAHWHFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6T0 or .6T02 or .6T03 or :36T0;style chemicals stick;color identity;select .A:105 or .A:126 or .A:128 or .A:131 or .A:149 or .A:150 or .A:154 or .A:155 or .A:161 or .A:174 or .A:178 or .A:193; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Resveratrol | Ligand Info | |||||
| Structure Description | Crystal structure analysis of QR2 in complex with resveratrol | PDB:1SG0 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [7] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .STL or .STL2 or .STL3 or :3STL;style chemicals stick;color identity;select .A:68 or .A:71 or .A:120 or .A:121 or .A:122 or .A:126 or .A:132 or .A:173 or .A:174 or .A:175 or .A:178; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: CP-868596 | Ligand Info | |||||
| Structure Description | Structure of the human quinone reductase 2 (NQO2) in complex with crenolanib | PDB:5LBY | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [8] |
| PDB Sequence |
GKKVLIVYAH
11 QEPKSFNGSL21 KNVAVDELSR31 QGCTVTVSDL41 YAMNLEPRAT51 DKDITGTLSN 61 PEVFNYGVET71 HEAYKQRSLA81 SDITDEQKKV91 READLVIFQF101 PLYWFSVPAI 111 LKGWMDRVLC121 QGFAFDIPGF131 YDSGLLQGKL141 ALLSVTTGGT151 AEMYTKTGVN 161 GDSRYFLWPL171 QHGTLHFCGF181 KVLAPQISFA191 PEIASEEERK201 GMVAAWSQRL 211 QTIWKEEPIP221 CTAHWHFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6T2 or .6T22 or .6T23 or :36T2;style chemicals stick;color identity;select .A:105 or .A:106 or .A:149 or .A:150 or .A:151 or .A:154 or .A:155 or .A:161 or .A:191 or .A:193 or .A:194; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Pacritinib | Ligand Info | |||||
| Structure Description | Structure of the human quinone reductase 2 (NQO2) in complex with pacritinib | PDB:5LBZ | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [8] |
| PDB Sequence |
KKVLIVYAHQ
12 EPKSFNGSLK22 NVAVDELSRQ32 GCTVTVSDLY42 AMNLEPRATD52 KDITGTLSNP 62 EVFNYGVETH72 EAYKQRSLAS82 DITDEQKKVR92 EADLVIFQFP102 LYWFSVPAIL 112 KGWMDRVLCQ122 GFAFDIPGFY132 DSGLLQGKLA142 LLSVTTGGTA152 EMYTKTGVNG 162 DSRYFLWPLQ172 HGTLHFCGFK182 VLAPQISFAP192 EIASEEERKG202 MVAAWSQRLQ 212 TIWKEEPIPC222 TAHWHFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6T3 or .6T32 or .6T33 or :36T3;style chemicals stick;color identity;select .A:120 or .A:122 or .A:126 or .A:128 or .A:131 or .A:132 or .A:174 or .A:178; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Savolitinib | Ligand Info | |||||
| Structure Description | Structure of the human quinone reductase 2 (NQO2) in complex with volitinib | PDB:5LBW | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [8] |
| PDB Sequence |
KKVLIVYAHQ
12 EPKSFNGSLK22 NVAVDELSRQ32 GCTVTVSDLY42 AMNLEPRATD52 KDITGTLSNP 62 EVFNYGVETH72 EAYKQRSLAS82 DITDEQKKVR92 EADLVIFQFP102 LYWFSVPAIL 112 KGWMDRVLCQ122 GFAFDIPGFY132 DSGLLQGKLA142 LLSVTTGGTA152 EMYTKTGVNG 162 DSRYFLWPLQ172 HGTLHFCGFK182 VLAPQISFAP192 EIASEEERKG202 MVAAWSQRLQ 212 TIWKEEPIPC222 TAHWHFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V0L or .V0L2 or .V0L3 or :3V0L;style chemicals stick;color identity;select .A:117 or .A:120 or .A:121 or .A:122 or .A:126 or .A:128 or .A:131 or .A:178; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: flavin mononucleotide | Ligand Info | |||||
| Structure Description | Crystal structure of fmn quinone reductase 2 AT 1.55A | PDB:4QOF | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [9] |
| PDB Sequence |
KKVLIVYAHQ
12 EPKSFNGSLK22 NVAVDELSRQ32 GCTVTVSDLY42 AMNFEPRATD52 KDITGTLSNP 62 EVFNYGVETH72 EAYKQRSLAS82 DITDEQKKVR92 EADLVIFQFP102 LYWFSVPAIL 112 KGWMDRVLCQ122 GFAFDIPGFY132 DSGLLQGKLA142 LLSVTTGGTA152 EMYTKTGVNG 162 DSRYFLWPLQ172 HGTLHFCGFK182 VLAPQISFAP192 EIASEEERKG202 MVAAWSQRLQ 212 TIWKEEPIPC222 TAHWHFGQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:11 or .A:16 or .A:17 or .A:18 or .A:102 or .A:103 or .A:104 or .A:105 or .A:106 or .A:147 or .A:148 or .A:149 or .A:150 or .A:155 or .A:161 or .A:192 or .A:193; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one | Ligand Info | |||||
| Structure Description | Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory activity | PDB:3GAM | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [10] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MXX or .MXX2 or .MXX3 or :3MXX;style chemicals stick;color identity;select .A:105 or .A:106 or .A:149 or .A:150 or .A:154 or .A:155 or .A:161 or .A:193; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-methoxycarbonylamino-N-acetyltryptamine | Ligand Info | |||||
| Structure Description | X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | PDB:3OVM | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [2] |
| PDB Sequence |
GKKVLIVYAH
11 QEPKSFNGSL21 KNVAVDELSR31 QGCTVTVSDL41 YAMNFEPRAT51 DKDITGTLSN 61 PEVFNYGVET71 HEAYKQRSLA81 SDITDEQKKV91 READLVIFQF101 PLYWFSVPAI 111 LKGWMDRVLC121 QGFAFDIPGF131 YDSGLLQGKL141 ALLSVTTGGT151 AEMYTKTGVN 161 GDSRYFLWPL171 QHGTLHFCGF181 KVLAPQISFA191 PEIASEEERK201 GMVAAWSQRL 211 QTIWKEEPIP221 CTAHWHF
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MZC or .MZC2 or .MZC3 or :3MZC;style chemicals stick;color identity;select .A:68 or .A:69 or .A:122 or .A:126 or .A:128 or .A:131 or .A:174 or .A:178; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: CB1954 | Ligand Info | |||||
| Structure Description | Quinone Reductase 2 in Complex with Cancer Prodrug CB1954 | PDB:1XI2 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [11] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CB1 or .CB12 or .CB13 or :3CB1;style chemicals stick;color identity;select .A:105 or .A:106 or .A:149 or .A:150 or .A:151 or .A:154 or .A:155 or .A:161; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 6,8-Dimethoxy-1,4-dimethylquinolin-2(1H)-one | Ligand Info | |||||
| Structure Description | Casimiroin analog inhibitor of quinone reductase 2 | PDB:3NFR | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | No | [12] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EWQ or .EWQ2 or .EWQ3 or :3EWQ;style chemicals stick;color identity;select .A:105 or .A:106 or .A:149 or .A:150 or .A:154 or .A:155 or .A:161 or .A:193; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 7,8-Dimethoxy-1,4-dimethylquinolin-2(1H)-one | Ligand Info | |||||
| Structure Description | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | PDB:3NHL | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | No | [13] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YTR or .YTR2 or .YTR3 or :3YTR;style chemicals stick;color identity;select .A:122 or .A:126 or .A:132 or .A:174 or .A:178; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-iodo-melatonin | Ligand Info | |||||
| Structure Description | Crystal Structure of Quinone Reductase II | PDB:2QX8 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [14] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ML2 or .ML22 or .ML23 or :3ML2;style chemicals stick;color identity;select .A:105 or .A:106 or .A:149 or .A:150 or .A:151 or .A:154 or .A:155 or .A:161 or .A:194; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5,8-Dimethoxy-4-methylquinolin-2(1H)-one | Ligand Info | |||||
| Structure Description | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | PDB:3O2N | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [15] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MZX or .MZX2 or .MZX3 or :3MZX;style chemicals stick;color identity;select .A:122 or .A:126 or .A:127 or .A:128 or .A:131 or .A:178; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1,4-Dimethylquinolin-2(1H)-one | Ligand Info | |||||
| Structure Description | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | PDB:3NHW | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [16] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZXZ or .ZXZ2 or .ZXZ3 or :3ZXZ;style chemicals stick;color identity;select .A:105 or .A:106 or .A:126 or .A:132 or .A:149 or .A:150 or .A:154 or .A:155 or .A:161 or .A:174 or .A:178; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6,7,8-Trimethoxy-4-methylquinolin-2(1H)-one | Ligand Info | |||||
| Structure Description | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | PDB:3NHP | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [17] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HGZ or .HGZ2 or .HGZ3 or :3HGZ;style chemicals stick;color identity;select .A:120 or .A:122 or .A:126 or .A:174 or .A:178; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 5,6,8-Trimethoxy-1,4-dimethylquinolin-2(1H)-one | Ligand Info | |||||
| Structure Description | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | PDB:3NHR | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [18] |
| PDB Sequence |
GKKVLIVYAH
11 QEPKSFNGSL21 KNVAVDELSR31 QGCTVTVSDL41 YAMNFEPRAT51 DKDITGTLSN 61 PEVFNYGVET71 HEAYKQRSLA81 SDITDEQKKV91 READLVIFQF101 PLYWFSVPAI 111 LKGWMDRVLC121 QGFAFDIPGF131 YDSGLLQGKL141 ALLSVTTGGT151 AEMYTKTGVN 161 GDSRYFLWPL171 QHGTLHFCGF181 KVLAPQISFA191 PEIASEEERK201 GMVAAWSQRL 211 QTIWKEEPIP221 CTAHWHFGQ
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RZW or .RZW2 or .RZW3 or :3RZW;style chemicals stick;color identity;select .A:105 or .A:106 or .A:122 or .A:126 or .A:127 or .A:128 or .A:131 or .A:149 or .A:150 or .A:154 or .A:155 or .A:161 or .A:178; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Ethidium | Ligand Info | |||||
| Structure Description | Reduced quinone reductase 2 in complex with ethidium | PDB:4ZVK | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [3] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ET or .ET2 or .ET3 or :3ET;style chemicals stick;color identity;select .A:66 or .A:67 or .A:68 or .A:69 or .A:71 or .A:72 or .A:117 or .A:120 or .A:121 or .A:122 or .A:126 or .A:128 or .A:174 or .A:178; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 6-Methyl-[1,3]dioxolo[4,5-h]quinolin-8(9H)-one | Ligand Info | |||||
| Structure Description | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | PDB:3NHU | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [19] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M42 or .M422 or .M423 or :3M42;style chemicals stick;color identity;select .A:126 or .A:128 or .A:132 or .A:174 or .A:178; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4,5,6,7-tetrabromo-1H-benzimidazole | Ligand Info | |||||
| Structure Description | Oxidized quinone reductase 2 in complex with CK2 inhibitor TBBz | PDB:4U7G | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | Yes | [20] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K17 or .K172 or .K173 or :3K17;style chemicals stick;color identity;select .A:105 or .A:106 or .A:149 or .A:150 or .A:154 or .A:155 or .A:161; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6,7,8-Trimethoxy-1,4-dimethylquinolin-2(1H)-one | Ligand Info | |||||
| Structure Description | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | PDB:3NHK | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [21] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VAP or .VAP2 or .VAP3 or :3VAP;style chemicals stick;color identity;select .A:105 or .A:106 or .A:149 or .A:150 or .A:154 or .A:155 or .A:161; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5,6,8-Trimethoxy-4-methylquinolin-2(1H)-one | Ligand Info | |||||
| Structure Description | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | PDB:3NHF | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [22] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VVV or .VVV2 or .VVV3 or :3VVV;style chemicals stick;color identity;select .A:105 or .A:106 or .A:149 or .A:150 or .A:154 or .A:155 or .A:161; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Flavin-Adenine Dinucleotide | Ligand Info | |||||
| Structure Description | Reduced quinone reductase 2 in complex with chloroquine | PDB:4FGL | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [23] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:11 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:102 or .A:103 or .A:104 or .A:105 or .A:106 or .A:107 or .A:147 or .A:148 or .A:149 or .A:150 or .A:155 or .A:161 or .A:192 or .A:193 or .A:197 or .A:198 or .A:200 or .A:201 or .A:204; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS11
1.902
LYS15
2.415
SER16
2.459
PHE17
2.217
ASN18
1.958
GLY19
4.726
SER20
2.385
PRO102
2.417
LEU103
1.812
TYR104
2.643
TRP105
2.074
PHE106
2.205
SER107
4.840
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2s)-2-(4-Aminophenyl)-1-Hydroxy-5-Methoxy-1,2-Dihydro-3h-Indol-3-One | Ligand Info | |||||
| Structure Description | Crystal Structure of Quinone Reductase II in complex with 2-(4-aminophenyl)-5-methoxy-1-oxy-indol-3-one molecule | PDB:4XDG | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [24] |
| PDB Sequence |
GKKVLIVYAH
11 QEPKSFNGSL21 KNVAVDELSR31 QGCTVTVSDL41 YAMNFEPRAT51 DKDITGTLSN 61 PEVFNYGVET71 HEAYKQRSLA81 SDITDEQKKV91 READLVIFQF101 PLYWFSVPAI 111 LKGWMDRVLC121 QGFAFDIPGF131 YDSGLLQGKL141 ALLSVTTGGT151 AEMYTKTGVN 161 GDSRYFLWPL171 QHGTLHFCGF181 KVLAPQISFA191 PEIASEEERK201 GMVAAWSQRL 211 QTIWKEEPIP221 CTAHWHFGQ
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3ZU or .3ZU2 or .3ZU3 or :33ZU;style chemicals stick;color identity;select .A:105 or .A:149 or .A:150 or .A:151 or .A:154 or .A:161 or .A:193 or .A:194; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[2-(2-Methoxy-1h-Dipyrido[2,3-A:3',2'-E]pyrrolizin-11-Yl)ethyl]furan-2-Carboxamide | Ligand Info | |||||
| Structure Description | X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | PDB:3OX3 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [2] |
| PDB Sequence |
GKKVLIVYAH
11 QEPKSFNGSL21 KNVAVDELSR31 QGCTVTVSDL41 YAMNFEPRAT51 DKDITGTLSN 61 PEVFNYGVET71 HEAYKQRSLA81 SDITDEQKKV91 READLVIFQF101 PLYWFSVPAI 111 LKGWMDRVLC121 QGFAFDIPGF131 YDSGLLQGKL141 ALLSVTTGGT151 AEMYTKTGVN 161 GDSRYFLWPL171 QHGTLHFCGF181 KVLAPQISFA191 PEIASEEERK201 GMVAAWSQRL 211 QTIWKEEPIP221 CTAHWHF
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4X4 or .4X42 or .4X43 or :34X4;style chemicals stick;color identity;select .A:68 or .A:69 or .A:72 or .A:122 or .A:126 or .A:132 or .A:174 or .A:178; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Casimiroin | Ligand Info | |||||
| Structure Description | Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory activity | PDB:3G5M | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [10] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XM5 or .XM52 or .XM53 or :3XM5;style chemicals stick;color identity;select .A:105 or .A:106 or .A:122 or .A:126 or .A:128 or .A:149 or .A:150 or .A:154 or .A:155 or .A:161 or .A:174 or .A:178; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Methoxy-2-(4-Methoxyphenyl)-3h-Indol-3-One | Ligand Info | |||||
| Structure Description | Crystal Structure of Quinone Reductase II in complex with a 2-(4-methoxy-phenyl)-5-methoxy-indol-3-one molecule | PDB:4XDH | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [24] |
| PDB Sequence |
GKKVLIVYAH
11 QEPKSFNGSL21 KNVAVDELSR31 QGCTVTVSDL41 YAMNFEPRAT51 DKDITGTLSN 61 PEVFNYGVET71 HEAYKQRSLA81 SDITDEQKKV91 READLVIFQF101 PLYWFSVPAI 111 LKGWMDRVLC121 QGFAFDIPGF131 YDSGLLQGKL141 ALLSVTTGGT151 AEMYTKTGVN 161 GDSRYFLWPL171 QHGTLHFCGF181 KVLAPQISFA191 PEIASEEERK201 GMVAAWSQRL 211 QTIWKEEPIP221 CTAHWHFGQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3ZV or .3ZV2 or .3ZV3 or :33ZV;style chemicals stick;color identity;select .A:105 or .A:149 or .A:150 or .A:151 or .A:154 or .A:161 or .A:194; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Methyl {3-[2-(Acetylamino)ethyl]-2-Iodo-1h-Indol-5-Yl}carbamate | Ligand Info | |||||
| Structure Description | X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | PDB:3OWH | ||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | No | [2] |
| PDB Sequence |
GKKVLIVYAH
11 QEPKSFNGSL21 KNVAVDELSR31 QGCTVTVSDL41 YAMNFEPRAT51 DKDITGTLSN 61 PEVFNYGVET71 HEAYKQRSLA81 SDITDEQKKV91 READLVIFQF101 PLYWFSVPAI 111 LKGWMDRVLC121 QGFAFDIPGF131 YDSGLLQGKL141 ALLSVTTGGT151 AEMYTKTGVN 161 GDSRYFLWPL171 QHGTLHFCGF181 KVLAPQISFA191 PEIASEEERK201 GMVAAWSQRL 211 QTIWKEEPIP221 CTAHWHF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .52X or .52X2 or .52X3 or :352X;style chemicals stick;color identity;select .A:68 or .A:69 or .A:72 or .A:122 or .A:126 or .A:131 or .A:132 or .A:174 or .A:178; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Hydroxy-8,9-Dimethoxy-6h-Isoindolo[2,1-A]indol-6-One | Ligand Info | |||||
| Structure Description | X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | PDB:3OX2 | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | No | [2] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .79X or .79X2 or .79X3 or :379X;style chemicals stick;color identity;select .A:67 or .A:68 or .A:71 or .A:117 or .A:120 or .A:121 or .A:122 or .A:126 or .A:132 or .A:174 or .A:178; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-Amino-7-Chloro-1-Methyl-6-(Methylideneamino)-2-Oxo-1,2-Dihydropyrrolo[4,3,2-De]quinoline-4-Carboxamide | Ligand Info | |||||
| Structure Description | Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors for Quinone Reductase 2 | PDB:3UXE | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [25] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .465 or .4652 or .4653 or :3465;style chemicals stick;color identity;select .A:105 or .A:106 or .A:149 or .A:150 or .A:154 or .A:155 or .A:161; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6,8-Diamino-7-Chloro-1-Methyl-2-Oxo-1,2-Dihydropyrrolo[4,3,2-De]quinoline-4-Carboxamide | Ligand Info | |||||
| Structure Description | Design, Synthesis and Biological Evaluation of Potetent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors of Quinone Reductase 2 | PDB:3UXH | ||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | Yes | [25] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UXH or .UXH2 or .UXH3 or :3UXH;style chemicals stick;color identity;select .A:105 or .A:106 or .A:149 or .A:150 or .A:154 or .A:155 or .A:161 or .A:193; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Acridine orange | Ligand Info | |||||
| Structure Description | Reduced quinone reductase 2 in complex with acridine orange | PDB:4ZVN | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [3] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AO or .AO2 or .AO3 or :3AO;style chemicals stick;color identity;select .A:105 or .A:149 or .A:150 or .A:151 or .A:154 or .A:155 or .A:161 or .A:191 or .A:193 or .A:194; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 8-Methoxy-4-methylquinolin-2(1H)-one | Ligand Info | |||||
| Structure Description | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | PDB:3NHY | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [26] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A7B or .A7B2 or .A7B3 or :3A7B;style chemicals stick;color identity;select .A:105 or .A:106 or .A:126 or .A:128 or .A:132 or .A:149 or .A:150 or .A:154 or .A:155 or .A:161 or .A:174 or .A:178; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-{(3r)-3-[2-(Acetylamino)ethyl]-2-Oxo-2,3-Dihydro-1h-Indol-5-Yl}acetamide | Ligand Info | |||||
| Structure Description | Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation | PDB:4GQI | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [27] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M49 or .M492 or .M493 or :3M49;style chemicals stick;color identity;select .A:68 or .A:122 or .A:126 or .A:132 or .A:174 or .A:178; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 9-Aminoacridine | Ligand Info | |||||
| Structure Description | Quinone Oxidoreductase (NQ02) bound to NSC13000 | PDB:3TZB | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [28] |
| PDB Sequence |
AMGKKVLIVY
9 AHQEPKSFNG19 SLKNVAVDEL29 SRQGCTVTVS39 DLYAMNFEPR49 ATDKDITGTL 59 SNPEVFNYGV69 ETHEAYKQRS79 LASDITDEQK89 KVREADLVIF99 QFPLYWFSVP 109 AILKGWMDRV119 LCQGFAFDIP129 GFYDSGLLQG139 KLALLSVTTG149 GTAEMYTKTG 159 VNGDSRYFLW169 PLQHGTLHFC179 GFKVLAPQIS189 FAPEIASEEE199 RKGMVAAWSQ 209 RLQTIWKEEP219 IPCTAHWHFG229
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AA or .AA2 or .AA3 or :3AA;style chemicals stick;color identity;select .A:68 or .A:120 or .A:122 or .A:126 or .A:174 or .A:178; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[(3r)-3-(Cyanomethyl)-1-Methyl-2-Oxo-2,3-Dihydro-1h-Indol-5-Yl]acetamide | Ligand Info | |||||
| Structure Description | Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation | PDB:4GR9 | ||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [27] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .372 or .3722 or .3723 or :3372;style chemicals stick;color identity;select .A:68 or .A:122 or .A:126 or .A:174 or .A:178; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (3S)-3-hydroxy-1-methyl-2,3-dihydro-1H-indole-5,6-dione | Ligand Info | |||||
| Structure Description | Quinone Reductase 2 in complex with adrenochrome | PDB:2QMY | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [29] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AD1 or .AD12 or .AD13 or :3AD1;style chemicals stick;color identity;select .A:126 or .A:178; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (R)-chloroquine | Ligand Info | |||||
| Structure Description | Reduced quinone reductase 2 in complex with chloroquine | PDB:4FGL | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [23] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CLQ or .CLQ2 or .CLQ3 or :3CLQ;style chemicals stick;color identity;select .A:105 or .A:106 or .A:148 or .A:149 or .A:150 or .A:151 or .A:154 or .A:155 or .A:161 or .A:193 or .A:194; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4s)-N~4~-(6-Methoxyquinolin-8-Yl)pentane-1,4-Diamine | Ligand Info | |||||
| Structure Description | Oxidized quinone reductase 2 in complex with primaquine | PDB:4FGJ | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [30] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1PQ or .1PQ2 or .1PQ3 or :31PQ;style chemicals stick;color identity;select .A:105 or .A:106 or .A:120 or .A:126 or .A:128 or .A:132 or .A:149 or .A:150 or .A:155 or .A:161 or .A:174 or .A:175 or .A:178 or .A:193 or .A:194; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (+)-Chloroquine | Ligand Info | |||||
| Structure Description | Oxidized quinone reductase 2 in complex with chloroquine | PDB:4FGK | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [31] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0TX or .0TX2 or .0TX3 or :30TX;style chemicals stick;color identity;select .A:66 or .A:69 or .A:72 or .A:105 or .A:122 or .A:126 or .A:128 or .A:149 or .A:150 or .A:151 or .A:154 or .A:161 or .A:178 or .A:191 or .A:193 or .A:194; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-{[2-(Dimethylamino)ethyl]amino}-8-Methoxy-6h-Imidazo[4,5,1-De]acridin-6-One | Ligand Info | |||||
| Structure Description | Quinone Oxidoreductase (NQ02) bound to the imidazoacridin-6-one 5a1 | PDB:3TE7 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [32] |
| PDB Sequence |
GKKVLIVYAH
11 QEPKSFNGSL21 KNVAVDELSR31 QGCTVTVSDL41 YAMNFEPRAT51 DKDITGTLSN 61 PEVFNYGVET71 HEAYKQRSLA81 SDITDEQKKV91 READLVIFQF101 PLYWFSVPAI 111 LKGWMDRVLC121 QGFAFDIPGF131 YDSGLLQGKL141 ALLSVTTGGT151 AEMYTKTGVN 161 GDSRYFLWPL171 QHGTLHFCGF181 KVLAPQISFA191 PEIASEEERK201 GMVAAWSQRL 211 QTIWKEEPIP221 CTAHWHFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TE7 or .TE72 or .TE73 or :3TE7;style chemicals stick;color identity;select .A:68 or .A:69 or .A:120 or .A:122 or .A:126 or .A:128 or .A:132 or .A:174 or .A:178; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-(Ethoxymethyl)-1h-Imidazo[4,5-C]quinolin-4-Amine | Ligand Info | |||||
| Structure Description | Structure of the human quinone reductase 2 (NQO2) in complex with to CL097 | PDB:5LBU | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [33] |
| PDB Sequence |
GKKVLIVYAH
11 QEPKSFNGSL21 KNVAVDELSR31 QGCTVTVSDL41 YAMNLEPRAT51 DKDITGTLSN 61 PEVFNYGVET71 HEAYKQRSLA81 SDITDEQKKV91 READLVIFQF101 PLYWFSVPAI 111 LKGWMDRVLC121 QGFAFDIPGF131 YDSGLLQGKL141 ALLSVTTGGT151 AEMYTKTGVN 161 GDSRYFLWPL171 QHGTLHFCGF181 KVLAPQISFA191 PEIASEEERK201 GMVAAWSQRL 211 QTIWKEEPIP221 CTAHWHFG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C09 or .C092 or .C093 or :3C09;style chemicals stick;color identity;select .A:105 or .A:122 or .A:126 or .A:128 or .A:149 or .A:150 or .A:154 or .A:155 or .A:161 or .A:178 or .A:193; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-[(4-Aminobutyl)amino]-1,2-Dimethyl-3-[(4-Nitrophenoxy)methyl]-1h-Indole-4,7-Dione | Ligand Info | |||||
| Structure Description | Crystal structure of quinone reductase 2 in complex with the indolequinone MAC627 | PDB:3O73 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [34] |
| PDB Sequence |
AGKKVLIVYA
10 HQEPKSFNGS20 LKNVAVDELS30 RQGCTVTVSD40 LYAMNFEPRA50 TDKDITGTLS 60 NPEVFNYGVE70 THEAYKQRSL80 ASDITDEQKK90 VREADLVIFQ100 FPLYWFSVPA 110 ILKGWMDRVL120 CQGFAFDIPG130 FYDSGLLQGK140 LALLSVTTGG150 TAEMYTKTGV 160 NGDSRYFLWP170 LQHGTLHFCG180 FKVLAPQISF190 APEIASEEER200 KGMVAAWSQR 210 LQTIWKEEPI220 PCTAHWHFGQ230
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O73 or .O732 or .O733 or :3O73;style chemicals stick;color identity;select .A:67 or .A:69 or .A:71 or .A:105 or .A:106 or .A:116 or .A:117 or .A:118 or .A:120 or .A:121 or .A:122 or .A:126 or .A:149 or .A:150 or .A:154 or .A:155 or .A:161 or .A:174 or .A:178 or .A:193 or .A:194; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR67
3.846
VAL69
4.062
THR71
4.245
TRP105
3.640
PHE106
4.621
MET116
4.144
ASP117
2.568
ARG118
4.481
LEU120
2.920
CYS121
3.318
GLN122
4.247
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| Ligand Name: hydroxy(2-{[(5S)-6-hydroxy-8-methoxy-4,5-dihydro-3H-imidazo[4,5,1-de]acridin-5-yl]amino}ethyl)dimethylammonium | Ligand Info | |||||
| Structure Description | Quinone Oxidoreductase (NQ02) bound to the imidazoacridin-6-one 6a1 | PDB:3TEM | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [32] |
| PDB Sequence |
GKKVLIVYAH
11 QEPKSFNGSL21 KNVAVDELSR31 QGCTVTVSDL41 YAMNFEPRAT51 DKDITGTLSN 61 PEVFNYGVET71 HEAYKQRSLA81 SDITDEQKKV91 READLVIFQF101 PLYWFSVPAI 111 LKGWMDRVLC121 QGFAFDIPGF131 YDSGLLQGKL141 ALLSVTTGGT151 AEMYTKTGVN 161 GDSRYFLWPL171 QHGTLHFCGF181 KVLAPQISFA191 PEIASEEERK201 GMVAAWSQRL 211 QTIWKEEPIP221 CTAHWHFG
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6A1 or .6A12 or .6A13 or :36A1;style chemicals stick;color identity;select .A:68 or .A:120 or .A:121 or .A:122 or .A:126 or .A:128 or .A:132 or .A:174 or .A:178; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of fad quinone reductase 2 in complex with melatonin at 1.4A | ||||
| REF 2 | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors. Protein Sci. 2011 Jul;20(7):1182-95. | ||||
| REF 3 | Binding of DNA-Intercalating Agents to Oxidized and Reduced Quinone Reductase 2. Biochemistry. 2015 Dec 29;54(51):7438-48. | ||||
| REF 4 | Quinone Reductase 2 Regulates Catecholamine Oxidation | ||||
| REF 5 | The structure of the leukemia drug imatinib bound to human quinone reductase 2 (NQO2). BMC Struct Biol. 2009 Feb 24;9:7. | ||||
| REF 6 | Imiquimod Inhibits Mitochondrial Complex I and Induces K+ efflux-independent Nlrp3 Inflammasome Activation via Nek7 | ||||
| REF 7 | Crystal structure of quinone reductase 2 in complex with resveratrol. Biochemistry. 2004 Sep 14;43(36):11417-26. | ||||
| REF 8 | The target landscape of clinical kinase drugs. Science. 2017 Dec 1;358(6367):eaan4368. | ||||
| REF 9 | Crystal structure of FMN quinone reductase 2 at 1.55A | ||||
| REF 10 | Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J Med Chem. 2009 Apr 9;52(7):1873-84. | ||||
| REF 11 | Crystal structure of quinone reductase 2 in complex with cancer prodrug CB1954. Biochem Biophys Res Commun. 2005 Oct 14;336(1):332-8. | ||||
| REF 12 | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | ||||
| REF 13 | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | ||||
| REF 14 | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem J. 2008 Jul 1;413(1):81-91. | ||||
| REF 15 | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | ||||
| REF 16 | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | ||||
| REF 17 | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | ||||
| REF 18 | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | ||||
| REF 19 | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | ||||
| REF 20 | Quinone reductase 2 is an adventitious target of protein kinase CK2 inhibitors TBBz (TBI) and DMAT. Biochemistry. 2015 Jan 13;54(1):47-59. | ||||
| REF 21 | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | ||||
| REF 22 | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | ||||
| REF 23 | Crystal structures of quinone reductase 2 bound to antimalarial drugs reveal conformational change upon reduction | ||||
| REF 24 | Role of Quinone Reductase 2 in the Antimalarial Properties of Indolone-Type Derivatives. Molecules. 2017 Jan 30;22(2):210. | ||||
| REF 25 | Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2. J Med Chem. 2012 Jan 12;55(1):367-77. | ||||
| REF 26 | X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2 | ||||
| REF 27 | Synthesis of novel MT3 receptor ligands via an unusual Knoevenagel condensation. Bioorg Med Chem Lett. 2012 Dec 15;22(24):7578-81. | ||||
| REF 28 | In silico screening reveals structurally diverse, nanomolar inhibitors of NQO2 that are functionally active in cells and can modulate NF-KappaB signaling. Mol Cancer Ther. 2012 Jan;11(1):194-203. | ||||
| REF 29 | Quinone Reductase 2 regulates Catecholamine oxidation | ||||
| REF 30 | Crystal structures of quinone reductase 2 bound to antimalarial drugs reveal conformational change upon reduction | ||||
| REF 31 | Crystal structures of quinone reductase 2 bound to antimalarial drugs reveal conformational change upon reduction | ||||
| REF 32 | Novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2): crystal structures, biochemical activity, and intracellular effects of imidazoacridin-6-ones. J Med Chem. 2011 Oct 13;54(19):6597-611. | ||||
| REF 33 | Imiquimod Inhibits Mitochondrial Complex I and Induces K+ efflux-independent Nlrp3 Inflammasome Activation via Nek7 | ||||
| REF 34 | Mechanism-based inhibition of quinone reductase 2 (NQO2): selectivity for NQO2 over NQO1 and structural basis for flavoprotein inhibition. Chembiochem. 2011 May 16;12(8):1203-8. | ||||
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