BioLiP

PDB

BioLiP

PDB CCD ID:

A1L8H

Number of entries in BioLiP:

Chemical formula:

C4 H2 Cl N O2 S

InChI:

InChI=1S/C4H2ClNO2S/c5-4-6-2(1-9-4)3(7)8/h1H,(H,7,8)

InChIKey:

UVYJJJQMZPCYKY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(nc(s1)Cl)C(=O)O
CACTVS 3.385	OC(=O)c1csc(Cl)n1

Name:

2-chloranyl-1,3-thiazole-4-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).