BioLiP

PDB

BioLiP

PDB CCD ID:

JH4

Number of entries in BioLiP:

Chemical formula:

C5 H7 N3

InChI:

InChI=1S/C5H7N3/c1-6-5-7-3-2-4-8-5/h2-4H,1H3,(H,6,7,8)

InChIKey:

BQNXHDSGGRTFNX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385 OpenEye OEToolkits 2.0.6	CNc1ncccn1

Name:

N-methylpyrimidin-2-amine

ZINC:

ZINC000000330858

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).