BioLiP

PDB

BioLiP

PDB CCD ID:

9FT

Number of entries in BioLiP:

Chemical formula:

C12 H13 N O3

InChI:

InChI=1S/C12H13NO3/c1-16-9-4-2-8(3-5-9)10-6-7-11(14)13-12(10)15/h2-5,10H,6-7H2,1H3,(H,13,14,15)/t10-/m1/s1

InChIKey:

UTEUBBDWRDGRCU-SNVBAGLBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(cc1)[CH]2CCC(=O)NC2=O
ACDLabs 12.01	O=C1NC(=O)CCC1c1ccc(OC)cc1
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)C2CCC(=O)NC2=O
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COc1ccc(cc1)[C@H]2CCC(=O)NC2=O

Name:

(3R)-3-(4-methoxyphenyl)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).