SEQ2FUN

BioLiP

PDB CCD ID: FMS
Number of entries in BioLiP: 1
Chemical formula: C H2 F3 N O2 S
InChI: InChI=1S/CH2F3NO2S/c2-1(3,4)8(5,6)7/h(H2,5,6,7)
InChIKey: KAKQVSNHTBLJCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04FC(F)(F)S(=O)(=O)N
CACTVS 3.341N[S](=O)(=O)C(F)(F)F
OpenEye OEToolkits 1.5.0C(F)(F)(F)S(=O)(=O)N
Name:TRIFLUOROMETHANE SULFONAMIDE
ChEMBL: CHEMBL67511
ZINC: ZINC000014277885
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).