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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: HCZ
Number of entries in BioLiP: 13
Chemical formula: C7 H8 Cl N3 O4 S2
InChI: InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
InChIKey: JZUFKLXOESDKRF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2
ACDLabs 11.02O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N
CACTVS 3.352N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1Cl
Name:6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
ChEMBL: CHEMBL435
DrugBank: DB00999
ZINC: ZINC000000896569

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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