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BioLiP

PDB CCD ID: RYJ
Number of entries in BioLiP: 1
Chemical formula: C9 H9 F3 N2 O3 S
InChI: InChI=1S/C9H9F3N2O3S/c10-9(11,12)5-14-8(15)6-1-3-7(4-2-6)18(13,16)17/h1-4H,5H2,(H,14,15)(H2,13,16,17)
InChIKey: QTBXXSHAPCGITL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1cc(ccc1C(=O)NCC(F)(F)F)S(=O)(=O)N
CACTVS 3.370N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)F
ACDLabs 12.01O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)F)cc1
Name:4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
ChEMBL: CHEMBL451234
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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