BioLiP

PDB

BioLiP

PDB CCD ID:

A98

Number of entries in BioLiP:

Chemical formula:

C6 H9 N3 O2 S2

InChI:

InChI=1S/C6H9N3O2S2/c1-3-12-6-9-8-4(13-6)7-5(10)11-2/h3H2,1-2H3,(H,7,8,10)

InChIKey:

SSCYIPXZAWJONZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCSc1sc(NC(=O)OC)nn1
OpenEye OEToolkits 2.0.6	CCSc1nnc(s1)NC(=O)OC

Name:

methyl ~{N}-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamate

ZINC:

ZINC000000995905

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).