BioLiP

PDB

BioLiP

PDB CCD ID:

MC5

Number of entries in BioLiP:

Chemical formula:

C21 H16 F N O3 S

InChI:

InChI=1S/C21H16FNO3S/c22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19/h1-9,11,19H,10,12H2,(H,23,24,25)/t19-/m0/s1

InChIKey:

PKWDZWYVIHVNKS-IBGZPJMESA-N

SMILES:

Software	SMILES
CACTVS 3.370	Fc1ccccc1COc2ccc3cc(C[CH]4SC(=O)NC4=O)ccc3c2
OpenEye OEToolkits 1.7.2	c1ccc(c(c1)COc2ccc3cc(ccc3c2)CC4C(=O)NC(=O)S4)F
CACTVS 3.370	Fc1ccccc1COc2ccc3cc(C[C@@H]4SC(=O)NC4=O)ccc3c2
ACDLabs 12.01	Fc1ccccc1COc3ccc2cc(ccc2c3)CC4SC(=O)NC4=O
OpenEye OEToolkits 1.7.2	c1ccc(c(c1)COc2ccc3cc(ccc3c2)C[C@H]4C(=O)NC(=O)S4)F

Name:

(5S)-5-({6-[(2-fluorobenzyl)oxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione;
Netoglitazone

ZINC:

ZINC000003633833

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).