BioLiP

PDB

BioLiP

PDB CCD ID:

TJP

Number of entries in BioLiP:

Chemical formula:

C6 H6 N2 O3

InChI:

InChI=1S/C6H6N2O3/c1-11-5(9)4-2-3-7-6(10)8-4/h2-3H,1H3,(H,7,8,10)

InChIKey:

BJFHABUKRPPLGH-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1NC(C(=O)OC)=CC=N1
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COC(=O)C1=CC=NC(=O)N1

Name:

methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate

ZINC:

ZINC000000331877

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).