Ligand

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Ligand Name:   ~{N}-(4-cyanophenyl)ethanamide
HET ID:   S0P PubChem:   37256
DrugBank:   - ChEMBL:   -
Canonical SMILES:   N#Cc1ccc(cc1)NC(=O)C
Standard InChI:   InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)
Molecular Formula:   C9H8N2O Mol. Weight:   160.17262 Heavy Atoms:   12
Charge:   0 Is Chiral:   False logP:   1.58968
HBD:   1 HBA:   3 TPSA:   52.89
#Bonds:   12 #Rotatable Bonds:   2 Shape Complexity:   0.125
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Uridine diphosphate glucose pyrophosphatase NUDT22 Q9BRQ3 (NUD22_HUMAN) Homo sapiens 5R57
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