Structure of PDB 4dpy Chain A Binding Site BS01 |
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Ligand ID | 2P0 |
InChI | InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/t5-/m0/s1 |
InChIKey | JFTJDUMMWOSHFL-YFKPBYRVSA-N |
SMILES | Software | SMILES |
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CACTVS 3.370 | OC(=O)[C@@H]1CCCN1C(=O)CO[P](O)(=O)O[P](O)(O)=O | OpenEye OEToolkits 1.7.0 | C1CC(N(C1)C(=O)COP(=O)(O)OP(=O)(O)O)C(=O)O | ACDLabs 12.01 | O=C(N1C(C(=O)O)CCC1)COP(=O)(O)OP(=O)(O)O | OpenEye OEToolkits 1.7.0 | C1C[C@H](N(C1)C(=O)CO[P@](=O)(O)OP(=O)(O)O)C(=O)O | CACTVS 3.370 | OC(=O)[CH]1CCCN1C(=O)CO[P](O)(=O)O[P](O)(O)=O |
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Formula | C7 H13 N O10 P2 |
Name | 1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline; diphosphoglycolylproline |
ChEMBL | CHEMBL1160294 |
DrugBank | |
ZINC | ZINC000095539351
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PDB chain | 4dpy Chain A Residue 401
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Enzyme Commision number |
4.1.1.33: diphosphomevalonate decarboxylase. |
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