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BioLiP

PDB CCD ID: SSY
Number of entries in BioLiP: 2
Chemical formula: C10 H8 F3 N O2
InChI: InChI=1S/C10H8F3NO2/c1-6(15)7-3-2-4-8(5-7)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)
InChIKey: QJIHIZOVLAWHFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)c1cccc(c1)NC(=O)C(F)(F)F
CACTVS 3.385CC(=O)c1cccc(NC(=O)C(F)(F)F)c1
Name:~{N}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide
ZINC: ZINC000000035855
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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