BioLiP

PDB

BioLiP

PDB CCD ID:

A1EM7

Number of entries in BioLiP:

Chemical formula:

C6 H7 N O2 S

InChI:

InChI=1S/C6H7NO2S/c1-3-5(6(8)9)10-4(2)7-3/h1-2H3,(H,8,9)

InChIKey:

MQGBARXPCXAFRZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(sc(n1)C)C(=O)O
CACTVS 3.385	Cc1sc(C(O)=O)c(C)n1

Name:

2,4-dimethyl-1,3-thiazole-5-carboxylic acid

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).