BioLiP

PDB

BioLiP

PDB CCD ID:

HFZ

Number of entries in BioLiP:

Chemical formula:

C8 H8 F3 N3 O4 S2

InChI:

InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)

InChIKey:

DMDGGSIALPNSEE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1C(F)(F)F
OpenEye OEToolkits 1.7.0	c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F
ACDLabs 11.02	FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c2)S(=O)(=O)N

Name:

6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

ChEMBL:

CHEMBL1763

DrugBank:

DB00774

ZINC:

ZINC000000897225

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).