BioLiP

PDB

BioLiP

PDB CCD ID:

4AS

Number of entries in BioLiP:

Chemical formula:

C6 H11 N3

InChI:

InChI=1S/C6H11N3/c1-7-5-6-8-3-4-9(6)2/h3-4,7H,5H2,1-2H3

InChIKey:

YFSZWZHEKIMAJJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.9.2	CNCc1nccn1C
ACDLabs 12.01	n1ccn(c1CNC)C

Name:

N-methyl-1-(1-methyl-1H-imidazol-2-yl)methanamine

ZINC:

ZINC000002559719

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).