BioLiP

PDB

BioLiP

PDB CCD ID:

P64

Number of entries in BioLiP:

Chemical formula:

C20 H24 N4

InChI:

InChI=1S/C20H24N4/c1-24(2)18-8-4-15(5-9-18)11-12-22-14-16-3-6-17-7-10-20(21)23-19(17)13-16/h3-10,13,22H,11-12,14H2,1-2H3,(H2,21,23)

InChIKey:

SYHMYZCWRIEYOI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N
ACDLabs 12.01	CN(c1ccc(cc1)CCNCc2cc3c(cc2)ccc(N)n3)C
CACTVS 3.385	CN(C)c1ccc(CCNCc2ccc3ccc(N)nc3c2)cc1

Name:

7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine

ChEMBL:

CHEMBL4100356

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).