BioLiP

PDB

BioLiP

PDB CCD ID:

TJJ

Number of entries in BioLiP:

Chemical formula:

C5 H4 N2 O3

InChI:

InChI=1S/C5H4N2O3/c8-4(9)3-1-2-6-5(10)7-3/h1-2H,(H,8,9)(H,6,7,10)

InChIKey:

OEPPJKDEBZBNNG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1=C(NC(=O)N=C1)C(=O)O
ACDLabs 12.01	O=C1N=CC=C(N1)C(O)=O
CACTVS 3.385	OC(=O)C1=CC=NC(=O)N1

Name:

2-oxo-2,3-dihydropyrimidine-4-carboxylic acid

ZINC:

ZINC000001690468

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).