Ligand |
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| Ligand Name: 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one | ||
| HET ID: 0QA | PubChem: 47289 | |
| DrugBank: - | ChEMBL: CHEMBL2311069 | |
| Canonical SMILES: O=NN(CCCC(=O)c1cccnc1)C | ||
| Standard InChI: InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3 | ||
| Molecular Formula: C10H13N3O2 | Mol. Weight: 207.22913 | Heavy Atoms: 15 |
| Charge: 0 | Is Chiral: False | logP: 1.6577 |
| HBD: 0 | HBA: 5 | TPSA: 62.63 |
| #Bonds: 15 | #Rotatable Bonds: 6 | Shape Complexity: 0.4 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | Kd : 4400 nM |