BioLiP

PDB

BioLiP

PDB CCD ID:

KMI

Number of entries in BioLiP:

Chemical formula:

C14 H17 N3

InChI:

InChI=1S/C14H17N3/c1-10-6-13(17-14(15)7-10)12-5-3-4-11(8-12)9-16-2/h3-8,16H,9H2,1-2H3,(H2,15,17)

InChIKey:

QVLCJJWOAMFHSP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNCc1cccc(c1)c2cc(C)cc(N)n2
OpenEye OEToolkits 2.0.7	Cc1cc(nc(c1)N)c2cccc(c2)CNC
ACDLabs 12.01	Cc1cc(nc(N)c1)c1cccc(CNC)c1

Name:

4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-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).