Ligand |
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| Ligand Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate | ||
| HET ID: 3AM | PubChem: 41211 | |
| DrugBank: - | ChEMBL: CHEMBL576739 | |
| Canonical SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N | ||
| Standard InChI: InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||
| Molecular Formula: C10H14N5O7P | Mol. Weight: 347.22122 | Heavy Atoms: 23 |
| Charge: 0 | Is Chiral: True | logP: -1.2818 |
| HBD: 5 | HBA: 12 | TPSA: 195.88 |
| #Bonds: 29 | #Rotatable Bonds: 4 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.4 | Ligand Type: Small Molecule | |
Binding Affinity |
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