Structure of PDB 2e95 Chain A Binding Site BS03 |
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| Ligand ID | B75 |
| InChI | InChI=1S/C24H23NO9P2S/c26-24(35(27,28)29,36(30,31)32)16-17-5-3-8-19(13-17)20-9-4-10-22(14-20)25-37(33,34)23-12-11-18-6-1-2-7-21(18)15-23/h1-15,25-26H,16H2,(H2,27,28,29)(H2,30,31,32) |
| InChIKey | MZVWVRVNMXTDAK-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | OC(Cc1cccc(c1)c2cccc(N[S](=O)(=O)c3ccc4ccccc4c3)c2)([P](O)(O)=O)[P](O)(O)=O | | ACDLabs 10.04 | O=S(=O)(Nc1cc(ccc1)c2cccc(c2)CC(O)(P(=O)(O)O)P(=O)(O)O)c4cc3ccccc3cc4 | | OpenEye OEToolkits 1.5.0 | c1ccc2cc(ccc2c1)S(=O)(=O)Nc3cccc(c3)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O |
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| Formula | C24 H23 N O9 P2 S |
| Name | 1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID;
(1-HYDROXY-2-{3'-[(2-NAPHTHYLSULFONYL)AMINO]BIPHENYL-3-YL}ETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID) |
| ChEMBL | CHEMBL259026 |
| DrugBank | |
| ZINC | ZINC000016051961
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| PDB chain | 2e95 Chain A Residue 1001
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| Enzyme Commision number |
2.5.1.-
2.5.1.1: dimethylallyltranstransferase.
2.5.1.10: (2E,6E)-farnesyl diphosphate synthase.
2.5.1.29: geranylgeranyl diphosphate synthase. |
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