BioLiP

PDB

BioLiP

PDB CCD ID:

A1JBL

Number of entries in BioLiP:

Chemical formula:

C17 H12 Cl N O2 S

InChI:

InChI=1S/C17H12ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21)

InChIKey:

JIEKMACRVQTPRC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2nc(c(s2)CC(=O)O)c3ccc(cc3)Cl
CACTVS 3.385	OC(=O)Cc1sc(nc1c2ccc(Cl)cc2)c3ccccc3

Name:

2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]ethanoic 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).