BioLiP

PDB

BioLiP

PDB CCD ID:

WUG

Number of entries in BioLiP:

Chemical formula:

C6 H11 N3

InChI:

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

InChIKey:

GEZOFSFHYQGWNK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1[nH]c(CN)c(C)n1
ACDLabs 12.01	Cc1c(CN)nc(n1)C
OpenEye OEToolkits 2.0.7	Cc1c([nH]c(n1)C)CN

Name:

1-(2,4-dimethyl-1H-imidazol-5-yl)methanamine

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).