Ligand

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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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