BioLiP

PDB

BioLiP

PDB CCD ID:

W9H

Number of entries in BioLiP:

Chemical formula:

C17 H13 N O2 S

InChI:

InChI=1S/C17H13NO2S/c19-17(20)16-15(13-9-5-2-6-10-13)18-14(21-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,19,20)

InChIKey:

MKDPSENJELZGTK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1sc(Cc2ccccc2)nc1c3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Cc2nc(c(s2)C(=O)O)c3ccccc3
ACDLabs 12.01	O=C(O)c1sc(Cc2ccccc2)nc1c1ccccc1

Name:

2-benzyl-4-phenyl-1,3-thiazole-5-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).