BioLiP

PDB

BioLiP

PDB CCD ID:

DZY

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O2 S

InChI:

InChI=1S/C7H9NO2S/c1-4-6(3-7(9)10)8-5(2)11-4/h3H2,1-2H3,(H,9,10)

InChIKey:

FFPWICPYXBDRHM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1c(nc(s1)C)CC(=O)O
CACTVS 3.370	Cc1sc(C)c(CC(O)=O)n1
ACDLabs 12.01	O=C(O)Cc1nc(sc1C)C

Name:

(2,5-dimethyl-1,3-thiazol-4-yl)acetic acid

ZINC:

ZINC000000129010

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).