SEQ2FUN

BioLiP

PDB CCD ID: UTS
Number of entries in BioLiP: 8
Chemical formula: C14 H12 N2
InChI: InChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2
InChIKey: MNEIJGDSFRHGMS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)Cn2cnc3c2cccc3
ACDLabs 12.01c1ccc(cc1)Cn3cnc2ccccc23
CACTVS 3.385C(n1cnc2ccccc12)c3ccccc3
Name:1-benzyl-1H-benzimidazole
ChEMBL: CHEMBL347547
ZINC: ZINC000000167633
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).