BioLiP

PDB

BioLiP

PDB CCD ID:

DMI

Number of entries in BioLiP:

Chemical formula:

C5 H9 N2

InChI:

InChI=1S/C5H8N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H3/p+1

InChIKey:

GIWQSPITLQVMSG-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.341	Cn1cc[nH+]c1C
ACDLabs 10.04	c1c[nH+]c(n1C)C
OpenEye OEToolkits 1.5.0	Cc1[nH+]ccn1C

Name:

2,3-DIMETHYLIMIDAZOLIUM ION

DrugBank:

DB03789

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).