BioLiP

PDB

BioLiP

PDB CCD ID:

KMR

Number of entries in BioLiP:

Chemical formula:

C14 H24 N4

InChI:

InChI=1S/C14H24N4/c1-12-10-13(16-14(15)11-12)4-3-5-18-8-6-17(2)7-9-18/h10-11H,3-9H2,1-2H3,(H2,15,16)

InChIKey:

SJKIQNSRANOUEL-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cc1cc(CCCN2CCN(C)CC2)nc(N)c1
OpenEye OEToolkits 2.0.7	Cc1cc(nc(c1)N)CCCN2CCN(CC2)C
CACTVS 3.385	CN1CCN(CCCc2cc(C)cc(N)n2)CC1

Name:

4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine

ChEMBL:

CHEMBL5204256

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).