Ligand Download |
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Ligand Name: 1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one | ||
HET ID: HNM | PubChem: 439476 | |
DrugBank: - | ChEMBL: CHEMBL1615006 | |
Canonical SMILES: CNCCCC(=O)c1ccc(nc1)O | ||
Standard InChI: InChI=1S/C10H14N2O2/c1-11-6-2-3-9(13)8-4-5-10(14)12-7-8/h4-5,7,11H,2-3,6H2,1H3,(H,12,14) | ||
Molecular Formula: C10H14N2O2 | Mol. Weight: 194.23036 | Heavy Atoms: 14 |
Charge: 0 | Is Chiral: False | logP: 1.3604 |
HBD: 2 | HBA: 4 | TPSA: 62.22 |
#Bonds: 14 | #Rotatable Bonds: 5 | Shape Complexity: 0.4 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
6-hydroxy-L-nicotine oxidase | Q93NH4 (Q93NH4_PAENI) | Paenarthrobacter nicotinovorans | 3NHO |
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