Structure of PDB 2o0z Chain A Binding Site BS01 |
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| Ligand ID | EPS |
| InChI | InChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18)/t6-,7-,8+/m1/s1 |
| InChIKey | QUTYKIXIUDQOLK-PRJMDXOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C=C(C(=O)O)O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O | | OpenEye OEToolkits 1.5.0 | C=C(C(=O)O)OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O | | CACTVS 3.341 | O[C@H]1[C@@H](CC(=C[C@H]1O[P](O)(O)=O)C(O)=O)OC(=C)C(O)=O | | CACTVS 3.341 | O[CH]1[CH](CC(=C[CH]1O[P](O)(O)=O)C(O)=O)OC(=C)C(O)=O | | ACDLabs 10.04 | O=C(O)C1=CC(OP(=O)(O)O)C(O)C(O/C(C(=O)O)=C)C1 |
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| Formula | C10 H13 O10 P |
| Name | 5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID;
5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE |
| ChEMBL | CHEMBL317037 |
| DrugBank | |
| ZINC |
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| PDB chain | 2o0z Chain A Residue 501
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