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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: QOY
Number of entries in BioLiP: 6
Chemical formula: C13 H11 Cl N4 O3 S
InChI: InChI=1S/C13H11ClN4O3S/c1-21-11-5-4-9(14)7-12(11)22(19,20)17-10-3-2-6-18-13(10)15-8-16-18/h2-8,17H,1H3
InChIKey: VLSIKQJXWTXQPQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(Cl)cc1[S](=O)(=O)Nc2cccn3ncnc23
OpenEye OEToolkits 2.0.7COc1ccc(cc1S(=O)(=O)Nc2cccn3c2ncn3)Cl
ACDLabs 12.01n21cccc(c1ncn2)NS(=O)(c3c(OC)ccc(Cl)c3)=O
Name:5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide
ZINC: ZINC000097944637

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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