BioLiP

PDB

BioLiP

PDB CCD ID:

KL0

Number of entries in BioLiP:

Chemical formula:

C11 H19 N3

InChI:

InChI=1S/C11H19N3/c1-9-7-10(13-11(12)8-9)5-4-6-14(2)3/h7-8H,4-6H2,1-3H3,(H2,12,13)

InChIKey:

UOGCIQPLIAZGRO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(nc(c1)N)CCCN(C)C
ACDLabs 12.01	Cc1cc(CCCN(C)C)nc(N)c1
CACTVS 3.385	CN(C)CCCc1cc(C)cc(N)n1

Name:

6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine

ChEMBL:

CHEMBL5189279

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).