Structure of PDB 7bgi Chain 3 Binding Site BS17 |
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Ligand ID | NKP |
InChI | InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9+/t20-/m1/s1 |
InChIKey | WRGQSWVCFNIUNZ-SQUSKLHYSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.7.0 | CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O | CACTVS 3.370 | CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O | CACTVS 3.370 | CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO[P](O)(O)=O | OpenEye OEToolkits 1.7.0 | CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O | ACDLabs 12.01 | O=P(OCC(O)COC(=O)CCCCCCC/C=C/CCCCCCCC)(O)O |
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Formula | C21 H41 O7 P |
Name | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate; 18:1 LPA; oleoyl lysophosphatidic acid |
ChEMBL | |
DrugBank | |
ZINC | ZINC000014953257
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PDB chain | 7bgi Chain 3 Residue 802
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Enzyme Commision number |
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