BioLiP

PDB

BioLiP

PDB CCD ID:

7NF

Number of entries in BioLiP:

Chemical formula:

C7 H7 N O4 S

InChI:

InChI=1S/C7H7NO4S/c1-2-12-7(11)5-8-4(3-13-5)6(9)10/h3H,2H2,1H3,(H,9,10)

InChIKey:

CDZCZDWBECKRKA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCOC(=O)c1scc(n1)C(O)=O
OpenEye OEToolkits 2.0.6	CCOC(=O)c1nc(cs1)C(=O)O

Name:

2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid

ZINC:

ZINC000040435366

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).