SEQ2FUN

BioLiP

PDB CCD ID: FZ0
Number of entries in BioLiP: 2
Chemical formula: C9 H9 F3 N2 O2
InChI: InChI=1S/C9H9F3N2O2/c10-9(11,12)16-7-3-1-2-6(4-7)14-8(15)5-13/h1-4H,5,13H2,(H,14,15)
InChIKey: BZQGZAVHPZXJBL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)OC(F)(F)F)NC(=O)CN
CACTVS 3.385NCC(=O)Nc1cccc(OC(F)(F)F)c1
Name:2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide
ChEMBL: CHEMBL4758755
ZINC: ZINC000019431283
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).