Ligand Download |
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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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