BioLiP

PDB

BioLiP

PDB CCD ID:

ZLO

Number of entries in BioLiP:

Chemical formula:

C5 H7 N3 O S2

InChI:

InChI=1S/C5H7N3OS2/c1-3(9)6-4-7-5(10-2)8-11-4/h1-2H3,(H,6,7,8,9)

InChIKey:

OMEQZPBOTOKCQC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CSc1nsc(NC(C)=O)n1
OpenEye OEToolkits 2.0.7	CC(=O)Nc1nc(ns1)SC

Name:

~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide

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).