Ligand

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Ligand Name:   1-ethanoylpiperidine-4-carbonitrile
HET ID:   S1V PubChem:   2756286
DrugBank:   - ChEMBL:   -
Canonical SMILES:   N#CC1CCN(CC1)C(=O)C
Standard InChI:   InChI=1S/C8H12N2O/c1-7(11)10-4-2-8(6-9)3-5-10/h8H,2-5H2,1H3
Molecular Formula:   C8H12N2O Mol. Weight:   152.19368 Heavy Atoms:   11
Charge:   0 Is Chiral:   False logP:   0.70638
HBD:   0 HBA:   3 TPSA:   44.1
#Bonds:   11 #Rotatable Bonds:   1 Shape Complexity:   0.85714287
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 5R5I
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