BioLiP

PDB

BioLiP

PDB CCD ID:

QVP

Number of entries in BioLiP:

Chemical formula:

C19 H17 N O2 S

InChI:

InChI=1S/C19H17NO2S/c21-19(22)18-17(15-11-5-2-6-12-15)20-16(23-18)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H,21,22)

InChIKey:

WWFYLUZIXCVYBZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c3c(c2c(C(O)=O)sc(CCCc1ccccc1)n2)cccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CCCc2nc(c(s2)C(=O)O)c3ccccc3
CACTVS 3.385	OC(=O)c1sc(CCCc2ccccc2)nc1c3ccccc3

Name:

4-phenyl-2-(3-phenylpropyl)-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).