BioLiP

PDB

BioLiP

PDB CCD ID:

WL0

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O3 S4

InChI:

InChI=1S/C11H12N2O3S4/c14-20(15,16)8-4-7-18-10-12-13(11(17)19-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,15,16)

InChIKey:

RPZFQBBXJDLRSJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[S](=O)(=O)CCCSC1=NN(C(=S)S1)c2ccccc2
ACDLabs 12.01	S=C1SC(=NN1c1ccccc1)SCCCS(=O)(=O)O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)N2C(=S)SC(=N2)SCCCS(=O)(=O)O

Name:

3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid

ZINC:

ZINC000003033033

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).