SEQ2FUN

BioLiP

PDB CCD ID: GDK
Number of entries in BioLiP: 1
Chemical formula: C18 H16 N2 O
InChI: InChI=1S/C18H16N2O/c1-14-7-9-15(10-8-14)18-17(6-4-12-20-18)21-13-16-5-2-3-11-19-16/h2-12H,13H2,1H3
InChIKey: GEICNUUKZLWKET-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1ccc(cc1)c2c(cccn2)OCc3ccccn3
CACTVS 3.385Cc1ccc(cc1)c2ncccc2OCc3ccccn3
Name:2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine
ChEMBL: CHEMBL4285648
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).