Ligand Download |
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Ligand Name: 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile | ||
HET ID: RYM | PubChem: 863558 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: N#Cc1ccc(cc1)Cn1cnc2c1cccc2 | ||
Standard InChI: InChI=1S/C15H11N3/c16-9-12-5-7-13(8-6-12)10-18-11-17-14-3-1-2-4-15(14)18/h1-8,11H,10H2 | ||
Molecular Formula: C15H11N3 | Mol. Weight: 233.26794 | Heavy Atoms: 18 |
Charge: 0 | Is Chiral: False | logP: 2.95628 |
HBD: 0 | HBA: 3 | TPSA: 41.61 |
#Bonds: 20 | #Rotatable Bonds: 2 | Shape Complexity: 0.071428575 |
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 | 5R54 |
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