Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T01575 | Target Info | |||
| Target Name | Sphingosine-1-phosphate lyase 1 (SGPL1) | ||||
| Synonyms | hSPL; Sphingosine-1-phosphate aldolase; SPL 1; SP-lyase 1; S1PL; KIAA1252 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | SGPL1 | ||||
| Biochemical Class | Carbon-carbon lyase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: PMID24809814C31 | Ligand Info | |||||
| Structure Description | Crystal structure of human sphingosine-1-phosphate lyase in complex with inhibitor 6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile | PDB:4Q6R | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
EYVKALPSQG
120 LSSSAVLEKL130 KEYSSMDAFW140 QEGRASGTVY150 SGEEKLTELL160 VKAYGDFAWS 170 NPLHPDIFPG180 LRKIEAEIVR190 IACSLFNGGP200 DSCGCVTSGG210 TESILMACKA 220 YRDLAFEKGI230 KTPEIVAPQS240 AHAAFNKAAS250 YFGMKIVRVP260 LTKMMEVDVR 270 AMRRAISRNT280 AMLVCSTPQF290 PHGVIDPVPE300 VAKLAVKYKI310 PLHVDACLGG 320 FLIVFMEKAG330 YPLEHPFDFR340 VKGVTSISAD350 THYGYAPKGS361 SLVLYSDKKY 371 RNYQFFVDTD381 WQGGIYASPT391 IAGSRPGGIS401 AACWAALMHF411 GENGYVEATK 421 QIIKTARFLK431 SELENIKGIF441 VFGNPQLSVI451 ALGSRDFDIY461 RLSNLMTAKG 471 WNLNQLQFPP481 SIHFCITLLH491 ARKRVAIQFL501 KDIRESVTQI511 MKNPKAKTTG 521 MGAIYGMAQT531 TVDRNMVAEL541 SSVFLDSLYS551 TD
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| Ligand Name: N6-((3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methylene)-L-lysine | Ligand Info | |||||
| Structure Description | Crystal structure of human sphingosine-1-phosphate lyase in complex with inhibitor 6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile | PDB:4Q6R | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
EYVKALPSQG
120 LSSSAVLEKL130 KEYSSMDAFW140 QEGRASGTVY150 SGEEKLTELL160 VKAYGDFAWS 170 NPLHPDIFPG180 LRKIEAEIVR190 IACSLFNGGP200 DSCGCVTSGG210 TESILMACKA 220 YRDLAFEKGI230 KTPEIVAPQS240 AHAAFNKAAS250 YFGMKIVRVP260 LTKMMEVDVR 270 AMRRAISRNT280 AMLVCSTPQF290 PHGVIDPVPE300 VAKLAVKYKI310 PLHVDACLGG 320 FLIVFMEKAG330 YPLEHPFDFR340 VKGVTSISAD350 THYGYAPKGS361 SLVLYSDKKY 371 RNYQFFVDTD381 WQGGIYASPT391 IAGSRPGGIS401 AACWAALMHF411 GENGYVEATK 421 QIIKTARFLK431 SELENIKGIF441 VFGNPQLSVI451 ALGSRDFDIY461 RLSNLMTAKG 471 WNLNQLQFPP481 SIHFCITLLH491 ARKRVAIQFL501 KDIRESVTQI511 MKNPKAKTTG 521 MGAIYGMAQT531 TVDRNMVAEL541 SSVFLDSLYS551 TD
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TYR150
3.294
GLY209
4.117
GLY210
3.137
THR211
2.609
ILE214
3.617
HIS242
3.411
PRO288
3.867
GLN289
4.695
PHE290
3.869
ASP315
2.812
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Orally active 7-substituted (4-benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitriles as active-site inhibitors of sphingosine 1-phosphate lyase for the treatment of multiple sclerosis. J MedChem. 2014 Jun 26;57(12):5074-84. | ||||
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