Structure of PDB 2e94 Chain B Binding Site BS01 |
|
|
|
| Ligand ID | 364 |
| InChI | InChI=1S/C19H19NO7P2/c21-19(28(22,23)24,29(25,26)27)14-20-11-5-10-18(13-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H3-,22,23,24,25,26,27)/p+1 |
| InChIKey | SFGYQDTXSJEVCC-UHFFFAOYSA-O |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=P(O)(O)C(O)(P(=O)(O)O)C[n+]3cccc(c2cc(c1ccccc1)ccc2)c3 | | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)c2cccc(c2)c3ccc[n+](c3)CC(O)(P(=O)(O)O)P(=O)(O)O | | CACTVS 3.341 | OC(C[n+]1cccc(c1)c2cccc(c2)c3ccccc3)([P](O)(O)=O)[P](O)(O)=O |
|
| Formula | C19 H20 N O7 P2 |
| Name | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM;
3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-BIS-PHOSPHONO-ETHYL)-PYRIDINIUM |
| ChEMBL | CHEMBL200335 |
| DrugBank | |
| ZINC | ZINC000013643037
|
| PDB chain | 2e94 Chain B Residue 1102
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
| 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. |
|
|
|
|
|
