BioLiP

PDB

BioLiP

PDB CCD ID:

R9M

Number of entries in BioLiP:

Chemical formula:

C6 H7 N O2 S

InChI:

InChI=1S/C6H7NO2S/c8-6(9)2-1-5-7-3-4-10-5/h3-4H,1-2H2,(H,8,9)

InChIKey:

OJTQVDTVCPIZQH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1csc(n1)CCC(=O)O
CACTVS 3.385	OC(=O)CCc1sccn1
ACDLabs 12.01	C(C(O)=O)Cc1nccs1

Name:

3-(1,3-thiazol-2-yl)propanoic acid

ZINC:

ZINC000002583422

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).