Structure of PDB 2g5w Chain A Binding Site BS02 |
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| Ligand ID | 8PG |
| InChI | InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18-/m0/s1 |
| InChIKey | BGKHCLZFGPIKKU-DRSVPBQLSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O | | CACTVS 3.341 | CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@H]1CCCCCCC(O)=O | | ACDLabs 10.04 | O=C(O)CCCCCCC1C(=O)C=CC1/C=C/C(O)CCCCC | | CACTVS 3.341 | CCCCC[CH](O)C=C[CH]1C=CC(=O)[CH]1CCCCCCC(O)=O | | OpenEye OEToolkits 1.5.0 | CCCCC[C@@H](\C=C\[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)O)O |
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| Formula | C20 H32 O4 |
| Name | (8S,12S)-15S-HYDROXY-9-OXOPROSTA-10Z,13E-DIEN-1-OIC ACID;
8-ISO PROSTAGLANDIN A1 (8-ISO PGA1) |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000004096508
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| PDB chain | 2g5w Chain A Residue 402
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