BioLiP

PDB

BioLiP

PDB CCD ID:

A1IMZ

Number of entries in BioLiP:

Chemical formula:

C19 H18 N2 O4 S

InChI:

InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)/t17-/m1/s1

InChIKey:

IRNJSRAGRIZIHD-QGZVFWFLSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCc1ccc(nc1)C(=O)COc2ccc(C[CH]3SC(=O)NC3=O)cc2
OpenEye OEToolkits 2.0.7	CCc1ccc(nc1)C(=O)COc2ccc(cc2)C[C@@H]3C(=O)NC(=O)S3
OpenEye OEToolkits 2.0.7	CCc1ccc(nc1)C(=O)COc2ccc(cc2)CC3C(=O)NC(=O)S3
CACTVS 3.385	CCc1ccc(nc1)C(=O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2

Name:

Mitoglitazone (R-form);
(5R)-5-[[4-[2-(5-ethylpyridin-2-yl)-2-oxidanylidene-ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;
Mitoglitazone

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).