BioLiP

PDB

BioLiP

PDB CCD ID:

HCZ

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2
ACDLabs 11.02	O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N
CACTVS 3.352	N[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, Lydia 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).