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BioLiP

PDB CCD ID: 18F
Number of entries in BioLiP: 2
Chemical formula: C20 H16 N2
InChI: InChI=1S/C20H16N2/c1-3-9-16(10-4-1)15-22-19-14-8-7-13-18(19)21-20(22)17-11-5-2-6-12-17/h1-14H,15H2
InChIKey: LCFXRSKBJWQHON-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)Cn2c3ccccc3nc2c4ccccc4
CACTVS 3.370C(n1c2ccccc2nc1c3ccccc3)c4ccccc4
ACDLabs 12.01n2c1ccccc1n(c2c3ccccc3)Cc4ccccc4
Name:1-benzyl-2-phenyl-1H-benzimidazole
ChEMBL: CHEMBL1922082
ZINC: ZINC000000997179
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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