Ligand |
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| Ligand Name: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol | ||
| HET ID: 3D1 | PubChem: 13730 | |
| DrugBank: - | ChEMBL: CHEMBL449329 | |
| Canonical SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N | ||
| Standard InChI: InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1 | ||
| Molecular Formula: C10H13N5O3 | Mol. Weight: 251.24191 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: True | logP: -0.3696 |
| HBD: 3 | HBA: 8 | TPSA: 119.31 |
| #Bonds: 23 | #Rotatable Bonds: 2 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.3 | Ligand Type: Small Molecule | |
Binding Affinity |
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