BioLiP

PDB

BioLiP

PDB CCD ID:

88H

Number of entries in BioLiP:

Chemical formula:

C23 H24 N4 O

InChI:

InChI=1S/C23H24N4O/c24-23-10-8-19-7-9-21(13-22(19)27-23)28-16-18-5-3-4-17(12-18)14-25-15-20-6-1-2-11-26-20/h1-6,8-12,25H,7,13-16H2,(H2,24,27)

InChIKey:

KJHXGBWLZFPKIP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ccc2CC=C(Cc2n1)OCc3cccc(CNCc4ccccn4)c3
OpenEye OEToolkits 2.0.7	c1ccnc(c1)CNCc2cccc(c2)COC3=CCc4ccc(nc4C3)N
ACDLabs 12.01	Nc1ccc2CC=C(Cc2n1)OCc1cccc(CNCc2ccccn2)c1

Name:

7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenyl]methoxy}-5,8-dihydroquinolin-2-amine

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).