BioLiP

PDB

BioLiP

PDB CCD ID:

VBO

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O4

InChI:

InChI=1S/C8H10N2O4/c1-14-7(12)3-5-10-4-2-6(11)9-8(10)13/h2,4H,3,5H2,1H3,(H,9,11,13)

InChIKey:

WFCIIRXTEXKYTF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COC(=O)CCN1C=CC(=O)NC1=O
ACDLabs 12.01	O=C(CCN1C=CC(=O)NC1=O)OC

Name:

methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate

ZINC:

ZINC000005175369

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).