SEQ2FUN

BioLiP

PDB CCD ID: VVF
Number of entries in BioLiP: 1
Chemical formula: C10 H7 F3 N2 O
InChI: InChI=1S/C10H7F3N2O/c11-10(12,13)7-2-1-3-8(6-7)15-9(16)4-5-14/h1-3,6H,4H2,(H,15,16)
InChIKey: HYPXSLNQQNLJDY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(Nc1cc(ccc1)C(F)(F)F)CC#N
OpenEye OEToolkits 2.0.7c1cc(cc(c1)NC(=O)CC#N)C(F)(F)F
CACTVS 3.385FC(F)(F)c1cccc(NC(=O)CC#N)c1
Name:2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide
ChEMBL: CHEMBL1966471
ZINC: ZINC000000136796
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).