BioLiP

PDB

BioLiP

PDB CCD ID:

K24

Number of entries in BioLiP:

Chemical formula:

C6 H8 N2 O S

InChI:

InChI=1S/C6H8N2OS/c1-4-8-3-5(10-4)6(9)7-2/h3H,1-2H3,(H,7,9)

InChIKey:

PUIJVJNJITYIIM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1ncc(s1)C(=O)NC
ACDLabs 12.01	n1cc(C(NC)=O)sc1C
CACTVS 3.385	CNC(=O)c1sc(C)nc1

Name:

N,2-dimethyl-1,3-thiazole-5-carboxamide

ZINC:

ZINC000047843666

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).