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| Ligand ID | BOI |
| InChI | InChI=1S/C18H24ClN3O11P2/c1-21-14(20-31-8-11-2-4-12(19)5-3-11)6-7-22(18(21)25)17-16(24)15(23)13(33-17)9-32-35(29,30)10-34(26,27)28/h2-7,13,15-17,23-24H,8-10H2,1H3,(H,29,30)(H2,26,27,28)/b20-14+/t13-,15-,16-,17-/m1/s1 |
| InChIKey | LIVNQTQAYASRSG-UEUWNTQGSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | CN1C(=O)N(C=CC1=NOCc2ccc(Cl)cc2)[CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O | | OpenEye OEToolkits 2.0.7 | CN1C(=NOCc2ccc(cc2)Cl)C=CN(C1=O)C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O | | OpenEye OEToolkits 2.0.7 | CN1/C(=N/OCc2ccc(cc2)Cl)/C=CN(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O | | CACTVS 3.385 | CN/1C(=O)N(C=CC/1=N/OCc2ccc(Cl)cc2)[C@@H]3O[C@H](CO[P](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H]3O |
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| Formula | C18 H24 Cl N3 O11 P2 |
| Name | [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-chlorophenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 7qgm Chain A Residue 604
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[View ligand structure]
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