Structure of PDB 2e93 Chain A Binding Site BS01 |
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| Ligand ID | B29 |
| InChI | InChI=1S/C20H18O8P2/c21-20(29(22,23)24,30(25,26)27)12-13-5-3-6-14(11-13)15-8-4-9-17-16-7-1-2-10-18(16)28-19(15)17/h1-11,21H,12H2,(H2,22,23,24)(H2,25,26,27) |
| InChIKey | BYVXAUZOTGITQZ-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | OC(Cc1cccc(c1)c2cccc3c2oc4ccccc34)([P](O)(O)=O)[P](O)(O)=O | | ACDLabs 10.04 | O=P(O)(O)C(O)(P(=O)(O)O)Cc4cccc(c2cccc1c3c(oc12)cccc3)c4 | | OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O |
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| Formula | C20 H18 O8 P2 |
| Name | [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID;
[2-(3-DIBENZO[B,D]FURAN-4-YLPHENYL)-1-HYDROXYETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) |
| ChEMBL | CHEMBL411274 |
| DrugBank | DB07410 |
| ZINC | ZINC000016051958
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| PDB chain | 2e93 Chain A Residue 901
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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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