Target Binding Site Detail
Target General Information | Top | ||||
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Target ID | T80975 | Target Info | |||
Target Name | Vascular endothelial growth factor receptor 2 (KDR) | ||||
Synonyms | VEGFR2; VEGFR-2; VEGF-2 receptor; Protein-tyrosine kinase receptor flk-1; Kinase insert domain receptor; Fetal liver kinase 1; FLK1; FLK-1; CD309 | ||||
Target Type | Successful Target | ||||
Gene Name | KDR | ||||
Biochemical Class | Kinase | ||||
UniProt ID |
Ligand General Information | Top | ||||
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Ligand Name | Cysteine Sulfenic Acid | Ligand Info | |||
Canonical SMILES | C(C(C(=O)O)N)SO | ||||
InChI | 1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | ||||
InChIKey | FXIRVRPOOYSARH-REOHCLBHSA-N | ||||
PubChem Compound ID | 165339 |
Drug Binding Sites of Target | Top | |||||
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PDB ID: 3CJF Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine | ||||||
Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [1] |
PDB Sequence |
CERLPYDASK
824 WEFPRDRLNL834 GKPLGRGAFG844 QVIEADAFGI854 DKTATRTVAV865 KMLKEGATHS 875 EHRALMSELK885 ILIHIGHHLN895 VVNLLGACTK905 PGGPLMVIVE915 FCKFGNLSTY 925 LRSKRNEFVP935 YKKDFLTLEH1002 LIYSFQVAKG1013 MEFLASRKIH1024 RDLAARNILL 1034 SEKNVVKIDL1047 ARDIYKPLKW1069 MAPETIFDRV1079 YTIQSDVWSF1089 GVLLWEIFSL 1099 GASPYPGVKI1109 DEEFRRLKEG1120 TRMRAPDYTT1130 PEMYQTMLDC1140 WHGEPSQRPT 1150 FSELVEHLGN1160 LLQANA
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ASP850
4.786
ALA851
3.314
PHE852
3.457
ALA858
4.548
THR859
1.333
ARG861
1.333
THR862
4.313
ILE886
4.525
ILE890
3.712
VAL897
3.735
LEU1000
4.604
GLU1001
2.787
HIS1002
3.168
LEU1003
3.206
ILE1004
1.336
TYR1006
1.330
SER1007
3.277
PHE1008
3.393
GLN1009
2.958
LEU1017
3.043
ALA1018
4.165
ARG1020
3.362
LYS1021
1.332
ILE1023
1.325
HIS1024
2.895
ARG1030
4.823
ASN1031
2.753
ILE1032
4.653
LEU1033
4.029
ASN1038
4.795
LYS1041
3.264
ILE1042
1.332
ASP1044
1.331
LEU1047
4.687
ALA1048
4.840
ARG1049
3.407
ASP1050
4.868
LEU1067
4.830
ILE1075
3.970
PHE1076
3.852
ILE1082
3.600
ASP1085
4.785
ASP1110
3.106
GLU1111
3.618
GLU1112
3.181
PHE1113
1.333
ARG1115
1.336
ARG1116
3.331
LEU1117
3.428
LYS1118
3.073
LEU1162
3.618
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PDB ID: 3CJG Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine | ||||||
Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [1] |
PDB Sequence |
HCERLPYDAS
823 KWEFPRDRLN833 LGKPLGRGQV846 IEADAFGIDK856 TATRTVAVKM867 LKEGATHSEH 877 RALMSELKIL887 IHIGHHLNVV897 NLLGACTKPG907 GPLMVIVEFC917 KFGNLSTYLR 927 SKRNEFVPYK937 DLYKDFLTLE1001 HLICYSFQVA1011 KGMEFLASRK1021 IHRDLAARNI 1032 LLSEKNVVKI1042 CDFGLARDIP1066 LKWMAPETIF1076 DRVYTIQSDV1086 WSFGVLLWEI 1096 FSLGASPYPG1106 VKIDEEFCRR1116 LKEGTRMRAP1126 DYTTPEMYQT1136 MLDCWHGEPS 1146 QRPTFSELVE1156 HLGNLLQANA1166
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ASP850
3.636
ALA851
3.523
PHE852
3.713
ALA858
4.441
THR859
1.337
ARG861
1.330
THR862
4.440
ILE886
4.421
HIS889
4.984
ILE890
3.799
LEU1017
3.014
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References | Top | ||||
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REF 1 | Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor. J Med Chem. 2008 Aug 14;51(15):4632-40. |
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