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BioLiP

PDB CCD ID: 2O8
Number of entries in BioLiP: 2
Chemical formula: C8 H6 F3 N O S
InChI: InChI=1S/C8H6F3NOS/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)
InChIKey: ILYWYSLTZOUSID-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1ccc(SC(F)(F)F)cc1
ACDLabs 12.01FC(F)(F)Sc1ccc(cc1)C(=O)N
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=O)N)SC(F)(F)F
Name:4-[(trifluoromethyl)sulfanyl]benzamide
ZINC: ZINC000003306788
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).
  • 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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