SEQ2FUN

BioLiP

PDB CCD ID: JJ6
Number of entries in BioLiP: 4
Chemical formula: C13 H11 N3 O
InChI: InChI=1S/C13H11N3O/c17-9-10-6-7-16-12(8-10)14-13(15-16)11-4-2-1-3-5-11/h1-8,17H,9H2
InChIKey: PIGSUKKNFKKDMJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2nc3cc(ccn3n2)CO
CACTVS 3.385OCc1ccn2nc(nc2c1)c3ccccc3
ACDLabs 12.01OCc1ccn2nc(nc2c1)c1ccccc1
Name:[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
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).