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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: RYX
Number of entries in BioLiP: 1
Chemical formula: C10 H9 F5 N2 O3 S
InChI: InChI=1S/C10H9F5N2O3S/c11-9(12,10(13,14)15)5-17-8(18)6-1-3-7(4-2-6)21(16,19)20/h1-4H,5H2,(H,17,18)(H2,16,19,20)
InChIKey: XRWFNUPDTKOWTL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)F
OpenEye OEToolkits 1.7.2c1cc(ccc1C(=O)NCC(C(F)(F)F)(F)F)S(=O)(=O)N
ACDLabs 12.01O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)F)cc1
Name:N-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide
ChEMBL: CHEMBL75113
ZINC: ZINC000013603126

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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