BioLiP

PDB

BioLiP

PDB CCD ID:

GEV

Number of entries in BioLiP:

Chemical formula:

C23 H18 N2 O4 S

InChI:

InChI=1S/C23H18N2O4S/c1-14-18(24-22(29-14)17-5-3-2-4-6-17)11-12-19(26)16-9-7-15(8-10-16)13-20-21(27)25-23(28)30-20/h2-10,13H,11-12H2,1H3,(H,25,27,28)

InChIKey:

DAVUFXMQAAAHHE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1c(nc(o1)c2ccccc2)CCC(=O)c3ccc(cc3)C=C4C(=O)NC(=O)S4
ACDLabs 12.01	c4ccc(c3nc(CCC(c2ccc(\C=C1\C(NC(=O)S1)=O)cc2)=O)c(C)o3)cc4
CACTVS 3.385	Cc1oc(nc1CCC(=O)c2ccc(cc2)C=C3SC(=O)NC3=O)c4ccccc4
CACTVS 3.385	Cc1oc(nc1CCC(=O)c2ccc(cc2)\C=C\3SC(=O)NC\3=O)c4ccccc4

Name:

(5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione;
Darglitazone

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).