BioLiP

PDB

BioLiP

PDB CCD ID:

RJY

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O2 S

InChI:

InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3

InChIKey:

QWWPUBQHZFHZSF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCOC(=O)c1csc(n1)C
ACDLabs 12.01	Cc1scc(C(=O)OCC)n1
CACTVS 3.385	CCOC(=O)c1csc(C)n1

Name:

ethyl 2-methyl-1,3-thiazole-4-carboxylate

ZINC:

ZINC000000120878

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).