BioLiP

PDB

BioLiP

PDB CCD ID:

A1BMO

Number of entries in BioLiP:

Chemical formula:

C9 H15 N3 O

InChI:

InChI=1S/C9H15N3O/c1-7(2)6-11-9(13)8-10-4-5-12(8)3/h4-5,7H,6H2,1-3H3,(H,11,13)

InChIKey:

ITOJSUFSGQMSOE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	CC(C)CNC(=O)c1nccn1C
ACDLabs 14.52	O=C(NCC(C)C)c1nccn1C

Name:

1-methyl-N-(2-methylpropyl)-1H-imidazole-2-carboxamide

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).