BioLiP

PDB

BioLiP

PDB CCD ID:

5IY

Number of entries in BioLiP:

Chemical formula:

C8 H12 N2 O2 S

InChI:

InChI=1S/C8H12N2O2S/c1-4(2)3-5-6(7(11)12)10-8(9)13-5/h4H,3H2,1-2H3,(H2,9,10)(H,11,12)

InChIKey:

BDBZLWWAHLRGEV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)Cc1c(nc(s1)N)C(=O)O
CACTVS 3.385	CC(C)Cc1sc(N)nc1C(O)=O

Name:

2-azanyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid

ZINC:

ZINC000079124148

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).