SEQ2FUN

BioLiP

PDB CCD ID: A1CW1
Number of entries in BioLiP: 2
Chemical formula: C7 H3 Cl F3 N3
InChI: InChI=1S/C7H3ClF3N3/c8-5-1-4(7(9,10)11)2-14-3-12-13-6(5)14/h1-3H
InChIKey: XVQOKOYHCGZDND-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1c(cn2cnnc2c1Cl)C(F)(F)F
ACDLabs 14.52
CACTVS 3.385		FC(F)(F)c1cn2cnnc2c(Cl)c1
Name:(4R)-8-chloro-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine
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).