|
| Ligand ID | WZO |
| InChI | InChI=1S/C12H20N5O13P3S/c1-16-4-17(9-6(16)10(19)15-12(13)14-9)11-8(26-2)7(18)5(28-11)3-27-32(23,24)30-33(25,34)29-31(20,21)22/h4-5,7-8,11,18H,3H2,1-2H3,(H6-,13,14,15,19,20,21,22,23,24,25,34)/p+1/t5-,7-,8-,11-,33-/m1/s1 |
| InChIKey | NSORGZXNYGWJBQ-ZRDSBRMSSA-O |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](S)(=O)O[P](O)(O)=O)O[CH]1n2c[n+](C)c3C(=O)NC(=Nc23)N | | CACTVS 3.385 | CO[C@@H]1[C@H](O)[C@@H](CO[P](O)(=O)O[P@@](S)(=O)O[P](O)(O)=O)O[C@H]1n2c[n+](C)c3C(=O)NC(=Nc23)N | | OpenEye OEToolkits 2.0.6 | C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(OP(=O)(O)O)S)O)OC | | OpenEye OEToolkits 2.0.6 | C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@@](=O)(OP(=O)(O)O)S)O)OC |
|
| Formula | C12 H21 N5 O13 P3 S |
| Name | [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 6gkk Chain A Residue 301
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
