SEQ2FUN

BioLiP

PDB CCD ID: PB2
Number of entries in BioLiP: 22
Chemical formula: C16 H14 N2
InChI: InChI=1S/C16H14N2/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)12-18-11-10-17-13-18/h1-11,13H,12H2
InChIKey: DLYMRVCQTVOYEW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2ccc(cc2)Cn3ccnc3
ACDLabs 10.04n1ccn(c1)Cc3ccc(c2ccccc2)cc3
CACTVS 3.341C(n1ccnc1)c2ccc(cc2)c3ccccc3
Name:1-(biphenyl-4-ylmethyl)-1H-imidazole
ChEMBL: CHEMBL1235146
DrugBank: DB08369
ZINC: ZINC000053683112
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).