BioLiP

PDB

BioLiP

PDB CCD ID:

K2J

Number of entries in BioLiP:

Chemical formula:

C6 H9 N3 O

InChI:

InChI=1S/C6H9N3O/c1-7-6-8-4-3-5(9-6)10-2/h3-4H,1-2H3,(H,7,8,9)

InChIKey:

OPBJFWASRUHSHW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CNc1nccc(n1)OC
ACDLabs 12.01	n1ccc(OC)nc1NC
CACTVS 3.385	CNc1nccc(OC)n1

Name:

4-methoxy-N-methylpyrimidin-2-amine

ZINC:

ZINC000039054512

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).