BioLiP

PDB

BioLiP

PDB CCD ID:

OSP

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O4 S2

InChI:

InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)

InChIKey:

HMHVCUVYZFYAJI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[S](=O)(=O)c1ccc(cc1)N2CCCC[S]2(=O)=O
OpenEye OEToolkits 1.5.0	c1cc(ccc1N2CCCCS2(=O)=O)S(=O)(=O)N
ACDLabs 10.04	O=S2(=O)N(c1ccc(cc1)S(=O)(=O)N)CCCC2

Name:

SULTHIAME;
4-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)BENZENESULFONAMIDE

ChEMBL:

CHEMBL328560

DrugBank:

DB08329

ZINC:

ZINC000000002119

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).