BioLiP

PDB

BioLiP

PDB CCD ID:

A1IAR

Number of entries in BioLiP:

Chemical formula:

C8 H11 N3 O

InChI:

InChI=1S/C8H11N3O/c1-3-4-12-6-8-10-5-7(9)11(8)2/h1,5H,4,6,9H2,2H3

InChIKey:

JGQPVNNBPSNUGF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1c(N)cnc1COCC#C
OpenEye OEToolkits 2.0.7	Cn1c(cnc1COCC#C)N

Name:

3-methyl-2-(prop-2-ynoxymethyl)imidazol-4-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).