BioLiP

PDB

BioLiP

PDB CCD ID:

7QS

Number of entries in BioLiP:

Chemical formula:

C9 H7 N O2 S

InChI:

InChI=1S/C9H7NO2S/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,11,12)/t7-/m1/s1

InChIKey:

CJOPVUUYQFODBM-SSDOTTSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)[C@@H]2C(=O)NC(=O)S2
CACTVS 3.385	O=C1NC(=O)[CH](S1)c2ccccc2
CACTVS 3.385	O=C1NC(=O)[C@H](S1)c2ccccc2
OpenEye OEToolkits 2.0.6	c1ccc(cc1)C2C(=O)NC(=O)S2
ACDLabs 12.01	c1ccc(cc1)C2C(NC(=O)S2)=O

Name:

(5R)-5-phenyl-1,3-thiazolidine-2,4-dione

ZINC:

ZINC000027870310

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).