Ligand

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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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