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| Ligand ID | B6G |
| InChI | InChI=1S/C14H21N6O8P/c1-5(2)6(15)13(23)27-29(24,25)28-14-9(22)8(21)12(26-14)20-4-19-7-10(16)17-3-18-11(7)20/h3-6,8-9,12,14,21-22H,15H2,1-2H3,(H,24,25)(H2,16,17,18)/t6-,8+,9-,12+,14-/m0/s1 |
| InChIKey | PJUFCHCQTYUTMG-JDUCOKCXSA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 12.01 | C1(OC(C(C1O)O)OP(OC(=O)C(C(C)C)N)(O)=O)n2c3c(nc2)c(ncn3)N | | OpenEye OEToolkits 2.0.6 | CC(C)[C@@H](C(=O)OP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N | | OpenEye OEToolkits 2.0.6 | CC(C)C(C(=O)OP(=O)(O)OC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N | | CACTVS 3.385 | CC(C)[C@H](N)C(=O)O[P](O)(=O)O[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23 | | CACTVS 3.385 | CC(C)[CH](N)C(=O)O[P](O)(=O)O[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 |
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| Formula | C14 H21 N6 O8 P |
| Name | (2S)-2-amino-3-methylbutanoyl (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl hydrogen (S)-phosphate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 5wmm Chain A Residue 1001
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