SEQ2FUN

BioLiP

PDB CCD ID: OGZ
Number of entries in BioLiP: 0
Chemical formula: C8 H8 F3 N
InChI: InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
InChIKey: YKNZTUQUXUXTLE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)C(F)(F)F)CN
CACTVS 3.385NCc1cccc(c1)C(F)(F)F
Name:[3-(trifluoromethyl)phenyl]methanamine
ChEMBL: CHEMBL13024
ZINC: ZINC000001841067
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).