SEQ2FUN

BioLiP

PDB CCD ID: HUY
Number of entries in BioLiP: 2
Chemical formula: C15 H12 F3 N O
InChI: InChI=1S/C15H12F3NO/c1-10(20)13-7-2-3-8-14(13)19-12-6-4-5-11(9-12)15(16,17)18/h2-9,19H,1H3
InChIKey: IYINOXIKOXORQM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F
ACDLabs 12.01CC(c1ccccc1Nc2cccc(c2)C(F)(F)F)=O
Name:1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one
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).