BioLiP

PDB

BioLiP

PDB CCD ID:

A1IXA

Number of entries in BioLiP:

Chemical formula:

C11 H11 N O2 S

InChI:

InChI=1S/C11H11NO2S/c13-10-7-6-9(11(14)12-10)15-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)/t9-/m0/s1

InChIKey:

DVTWEZHTLIJLKO-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)S[C@H]2CCC(=O)NC2=O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)SC2CCC(=O)NC2=O
CACTVS 3.385	O=C1CC[C@H](Sc2ccccc2)C(=O)N1
CACTVS 3.385	O=C1CC[CH](Sc2ccccc2)C(=O)N1

Name:

(3S)-3-phenylsulfanylpiperidine-2,6-dione

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).