SEQ2FUN

BioLiP

PDB CCD ID: EHI
Number of entries in BioLiP: 2
Chemical formula: C19 H19 N5
InChI: InChI=1S/C19H19N5/c1-14-7-6-12-24-19(14)21-17(22-24)10-11-18-20-16(13-23(18)2)15-8-4-3-5-9-15/h3-9,12-13H,10-11H2,1-2H3
InChIKey: HEKVJERXQYDVFH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cc(nc1CCc2nn3cccc(C)c3n2)c4ccccc4
OpenEye OEToolkits 2.0.7Cc1cccn2c1nc(n2)CCc3nc(cn3C)c4ccccc4
Name:8-methyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
ChEMBL: CHEMBL3703517
ZINC: ZINC000113424590
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).