BioLiP

PDB

BioLiP

PDB CCD ID:

M6N

Number of entries in BioLiP:

Chemical formula:

C8 H7 N3 O

InChI:

InChI=1S/C8H7N3O/c1-5-10-7-4-9-3-2-6(7)8(12)11-5/h2-4H,1H3,(H,10,11,12)

InChIKey:

ZZGGQKRBGZEHKC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1=Nc2cnccc2C(=O)N1

Name:

2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one

ZINC:

ZINC000034099990

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).