BioLiP

PDB

BioLiP

PDB CCD ID:

RYP

Number of entries in BioLiP:

Chemical formula:

C7 H10 N2

InChI:

InChI=1S/C7H10N2/c1-8-6-7-2-4-9-5-3-7/h2-5,8H,6H2,1H3

InChIKey:

DNBWGFKLIBQQSL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CNCc1ccncc1

Name:

~{N}-methyl-1-pyridin-4-yl-methanamine

ZINC:

ZINC000000161991

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).