Ligand |
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| Ligand Name: 3H-pyrido[3,4-d]pyrimidin-4-one | ||
| HET ID: N5J | PubChem: 135567106, 590102 | |
| DrugBank: - | ChEMBL: CHEMBL3770256 | |
| Canonical SMILES: O=c1[nH]cnc2c1ccnc2 | ||
| Standard InChI: InChI=1S/C7H5N3O/c11-7-5-1-2-8-3-6(5)9-4-10-7/h1-4H,(H,9,10,11) | ||
| Molecular Formula: C7H5N3O | Mol. Weight: 147.1341 | Heavy Atoms: 11 |
| Charge: 0 | Is Chiral: False | logP: 0.3181 |
| HBD: 1 | HBA: 3 | TPSA: 58.64 |
| #Bonds: 13 | #Rotatable Bonds: 0 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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