BioLiP

PDB

BioLiP

PDB CCD ID:

A1IGQ

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O2 S

InChI:

InChI=1S/C9H11NO2S/c11-13(12)7-9(6-10-13)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-/m0/s1

InChIKey:

CAGITIWEIXFGFH-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C2CNS(=O)(=O)C2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)[C@@H]2CNS(=O)(=O)C2
CACTVS 3.385	O=[S]1(=O)C[CH](CN1)c2ccccc2
CACTVS 3.385	O=[S]1(=O)C[C@@H](CN1)c2ccccc2

Name:

(4R)-4-phenyl-1,2-thiazolidine 1,1-dioxide

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).