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| Ligand ID | VUL |
| InChI | InChI=1S/C20H32N6O7S/c1-2-3-4-5-6-7-8-9-14(27)25-34(30,31)32-10-13-16(28)17(29)20(33-13)26-12-24-15-18(21)22-11-23-19(15)26/h11-13,16-17,20,28-29H,2-10H2,1H3,(H,25,27)(H2,21,22,23)/t13-,16-,17-,20-/m1/s1 |
| InChIKey | WHJSYVVAGQVYEC-AEVYOOLXSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O | | CACTVS 3.385 | CCCCCCCCCC(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23 | | CACTVS 3.385 | CCCCCCCCCC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | | OpenEye OEToolkits 2.0.7 | CCCCCCCCCC(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O |
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| Formula | C20 H32 N6 O7 S |
| Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-decanoylsulfamate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8jyl Chain F Residue 601
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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