Ligand |
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| Ligand Name: 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one | ||
| HET ID: F6G | PubChem: 138753197 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O[C@H]1C[C@@H](O[C@@H]1CO[P@](=O)(O[P@](=O)(OP(=O)(O)O)O)O)N1CN=C(NC1=O)N | ||
| Standard InChI: InChI=1S/C8H17N4O13P3/c9-7-10-3-12(8(14)11-7)6-1-4(13)5(23-6)2-22-27(18,19)25-28(20,21)24-26(15,16)17/h4-6,13H,1-3H2,(H,18,19)(H,20,21)(H2,15,16,17)(H3,9,10,11,14)/t4-,5+,6+/m0/s1 | ||
| Molecular Formula: C8H17N4O13P3 | Mol. Weight: 470.16086 | Heavy Atoms: 28 |
| Charge: 0 | Is Chiral: True | logP: -1.4944 |
| HBD: 7 | HBA: 17 | TPSA: 289.43 |
| #Bonds: 32 | #Rotatable Bonds: 8 | Shape Complexity: 0.75 |
| Stereocomplexity: 0.625 | Ligand Type: Small Molecule | |
Binding Affinity |
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