BioLiP

PDB

BioLiP

PDB CCD ID:

A1I4Q

Number of entries in BioLiP:

Chemical formula:

C14 H16 N2 O2

InChI:

InChI=1S/C14H16N2O2/c17-13-8-7-12(14(18)15-13)16-9-3-5-10-4-1-2-6-11(10)16/h1-2,4,6,12H,3,5,7-9H2,(H,15,17,18)/t12-/m0/s1

InChIKey:

CTVSVGOYYDMZNQ-LBPRGKRZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C1CC[C@H](N2CCCc3ccccc23)C(=O)N1
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)CCCN2C3CCC(=O)NC3=O
CACTVS 3.385	O=C1CC[CH](N2CCCc3ccccc23)C(=O)N1
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)CCCN2[C@H]3CCC(=O)NC3=O

Name:

(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)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).