SEQ2FUN

BioLiP

PDB CCD ID: 1DQ
Number of entries in BioLiP: 2
Chemical formula: C4 H3 F3 N2
InChI: InChI=1S/C4H3F3N2/c5-4(6,7)3-1-8-2-9-3/h1-2H,(H,8,9)
InChIKey: DFLGRTIPTPCKPJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01FC(F)(F)c1cncn1
OpenEye OEToolkits 1.7.6c1c([nH]cn1)C(F)(F)F
CACTVS 3.370FC(F)(F)c1[nH]cnc1
Name:5-(trifluoromethyl)-1H-imidazole
ChEMBL: CHEMBL2324236
ZINC: ZINC000008698428
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).