Ligand |
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| Ligand Name: INOSINIC ACID | ||
| HET ID: IMP | PubChem: 135398640, 8582, 5280323 | |
| DrugBank: DB04566 | ChEMBL: CHEMBL1207374 | |
| Canonical SMILES: O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O | ||
| Standard InChI: InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||
| Molecular Formula: C10H13N4O8P | Mol. Weight: 348.206 | Heavy Atoms: 23 |
| Charge: 0 | Is Chiral: True | logP: -2.1519 |
| HBD: 5 | HBA: 11 | TPSA: 189.83 |
| #Bonds: 30 | #Rotatable Bonds: 4 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.4 | Ligand Type: Small Molecule | |
Binding Affinity |
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