SEQ2FUN

BioLiP

PDB CCD ID: LR5
Number of entries in BioLiP: 1
Chemical formula: C8 H6 F3 N O
InChI: InChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)
InChIKey: WEJHBEDHLLBJFW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)N)C(F)(F)F
CACTVS 3.385NC(=O)c1ccc(cc1)C(F)(F)F
Name:4-(trifluoromethyl)benzamide
ChEMBL: CHEMBL4065573
ZINC: ZINC000000053520
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).