BioLiP

PDB

BioLiP

PDB CCD ID:

IQL

Number of entries in BioLiP:

Chemical formula:

C6 H8 N4

InChI:

InChI=1S/C6H8N4/c1-8-5(7)6-9-3-2-4-10-6/h2-4H,1H3,(H2,7,8)

InChIKey:

GXUPAQKJNPTPOU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CNC(=N)c1ncccn1
OpenEye OEToolkits 2.0.7	[H]/N=C(\c1ncccn1)/NC

Name:

N-methylpyrimidine-2-carboximidamide;
N'-methylpyrimidine-2-carboximidamide

ChEMBL:

CHEMBL5170116

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).