SEQ2FUN

BioLiP

PDB CCD ID: A1CW3
Number of entries in BioLiP: 1
Chemical formula: C9 H6 F3 N3
InChI: InChI=1S/C9H6F3N3/c10-9(11,12)7-1-2-8(14-5-7)15-4-3-13-6-15/h1-6H
InChIKey: BEHWGLUHEGUQRD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385FC(F)(F)c1ccc(nc1)n2ccnc2
ACDLabs 14.52FC(F)(F)c1cnc(cc1)n1ccnc1
OpenEye OEToolkits 3.1.0.0c1cc(ncc1C(F)(F)F)n2ccnc2
Name:(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)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).