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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: OQW
Number of entries in BioLiP: 1
Chemical formula: C14 H19 F3 N2 O2 S
InChI: InChI=1S/C14H19F3N2O2S/c15-10-8-11(16)13(14(12(10)17)22(18,20)21)19-9-6-4-2-1-3-5-7-9/h8-9,19H,1-7H2,(H2,18,20,21)
InChIKey: CRSVSKVDNXYYQV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1c(F)c(F)cc(F)c1NC2CCCCCCC2
OpenEye OEToolkits 2.0.7c1c(c(c(c(c1F)F)S(=O)(=O)N)NC2CCCCCCC2)F
Name:2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide;
2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide

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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