BioLiP

PDB

BioLiP

PDB CCD ID:

WPY

Number of entries in BioLiP:

Chemical formula:

C5 H6 N2 O S

InChI:

InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8)

InChIKey:

WXPLRSVMGRAIGW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n1c(NC(=O)C)scc1
OpenEye OEToolkits 2.0.7	CC(=O)Nc1nccs1
CACTVS 3.385	CC(=O)Nc1sccn1

Name:

N-(1,3-thiazol-2-yl)acetamide

ZINC:

ZINC000000125033

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).