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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: 94V
Number of entries in BioLiP: 8
Chemical formula: C10 H7 Br Cl N3 O3 S2
InChI: InChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-4-2-1-3-6(7)12/h1-5H,(H2,13,14,15,16)
InChIKey: NFXDNHRCLVIUNW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccccc1[S](=O)(=O)NC(=O)Nc2sc(Br)cn2
ACDLabs 12.01c1(sc(nc1)NC(=O)NS(c2ccccc2Cl)(=O)=O)Br
OpenEye OEToolkits 2.0.6c1ccc(c(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl
Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide

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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