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| Ligand ID | W0F |
| InChI | InChI=1S/C11H18N5O14P3/c1-26-7-4(2-27-32(22,23)30-33(24,25)29-31(19,20)21)28-10(6(7)17)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10+/m0/s1 |
| InChIKey | OHOBECDATGAGJW-SXVXDFOESA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | CO[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)N=C(N)Nc23 | | OpenEye OEToolkits 2.0.7 | COC1C(OC(C1O)n2cnc3c2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O | | OpenEye OEToolkits 2.0.7 | CO[C@H]1[C@@H](O[C@H]([C@H]1O)n2cnc3c2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O | | CACTVS 3.385 | CO[C@@H]1[C@H](O)[C@@H](O[C@H]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)N=C(N)Nc23 |
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| Formula | C11 H18 N5 O14 P3 |
| Name | [[(2~{S},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3-methoxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8wak Chain Z Residue 2500
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[View ligand structure]
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