BioLiP

PDB

BioLiP

PDB CCD ID:

UF5

Number of entries in BioLiP:

Chemical formula:

C8 H9 Cl N2 O2 S2

InChI:

InChI=1S/C8H9ClN2O2S2/c9-7-3-6-8(14-7)15(12,13)10-4-11(6)5-1-2-5/h3,5,10H,1-2,4H2

InChIKey:

PJOUJJTUKBFKPV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1sc2c(c1)N(CN[S]2(=O)=O)C3CC3
OpenEye OEToolkits 2.0.7	c1c2c(sc1Cl)S(=O)(=O)NCN2C3CC3

Name:

6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide

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).