BioLiP

PDB

BioLiP

PDB CCD ID:

WGK

Number of entries in BioLiP:

Chemical formula:

C20 H26 N2 O4

InChI:

InChI=1S/C20H26N2O4/c1-5-26-20(23)14-6-8-22(9-7-14)18-10-13(2)19-16(21-18)11-15(24-3)12-17(19)25-4/h10-12,14H,5-9H2,1-4H3

InChIKey:

QMSAXOQPCCJWDP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCOC(=O)C1CCN(CC1)c2cc(c3c(n2)cc(cc3OC)OC)C
ACDLabs 12.01	O=C(OCC)C1CCN(CC1)c1nc2cc(OC)cc(OC)c2c(C)c1
CACTVS 3.385	CCOC(=O)C1CCN(CC1)c2cc(C)c3c(OC)cc(OC)cc3n2

Name:

ethyl 1-(5,7-dimethoxy-4-methylquinolin-2-yl)piperidine-4-carboxylate

ZINC:

ZINC000016671363

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).