BioLiP

PDB

BioLiP

PDB CCD ID:

4L2

Number of entries in BioLiP:

Chemical formula:

C16 H18 N2 O2

InChI:

InChI=1S/C16H18N2O2/c1-11-9-16(20)17(2)14-10-12(6-7-13(11)14)18-8-4-3-5-15(18)19/h6-7,9-10H,3-5,8H2,1-2H3

InChIKey:

TVJZEYRKRPKMHK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1CCCCN1c3cc2N(C)C(=O)C=C(C)c2cc3
CACTVS 3.385	CN1C(=O)C=C(C)c2ccc(cc12)N3CCCCC3=O
OpenEye OEToolkits 1.9.2	CC1=CC(=O)N(c2c1ccc(c2)N3CCCCC3=O)C

Name:

1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one

ChEMBL:

CHEMBL5267719

ZINC:

ZINC000230499229

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).