SEQ2FUN

BioLiP

PDB CCD ID: IBY
Number of entries in BioLiP: 4
Chemical formula: C21 H19 N3
InChI: InChI=1S/C21H19N3/c1-24-15-20(16-7-3-2-4-8-16)23-21(24)14-13-18-12-11-17-9-5-6-10-19(17)22-18/h2-12,15H,13-14H2,1H3
InChIKey: IQXLHLPDOHCJMU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cn1cc(nc1CCc2ccc3ccccc3n2)c4ccccc4
ACDLabs 12.01Cn1cc(nc1CCc1ccc2ccccc2n1)c1ccccc1
Name:2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoline
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).