BioLiP

PDB

BioLiP

PDB CCD ID:

N8F

Number of entries in BioLiP:

Chemical formula:

C12 H13 N O4 S

InChI:

InChI=1S/C12H13NO4S/c14-11-7-6-9(12(15)13-11)8-18(16,17)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14,15)/t9-/m1/s1

InChIKey:

JPOLQZHTTNLNIA-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)S(=O)(=O)C[C@H]2CCC(=O)NC2=O
CACTVS 3.385	O=C1CC[C@H](C[S](=O)(=O)c2ccccc2)C(=O)N1
CACTVS 3.385	O=C1CC[CH](C[S](=O)(=O)c2ccccc2)C(=O)N1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)S(=O)(=O)CC2CCC(=O)NC2=O

Name:

(3~{S})-3-(phenylsulfonylmethyl)piperidine-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).