BioLiP

PDB

BioLiP

PDB CCD ID:

TJ4

Number of entries in BioLiP:

Chemical formula:

C7 H8 N2 O3

InChI:

InChI=1S/C7H8N2O3/c1-3-4(2)8-7(12)9-5(3)6(10)11/h1-2H3,(H,10,11)(H,8,9,12)

InChIKey:

ZXECTTZQEACQGR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1=NC(=O)NC(=C1C)C(O)=O
ACDLabs 12.01	O=C1NC(=C(C(=N1)C)C)C(O)=O
OpenEye OEToolkits 2.0.7	CC1=C(NC(=O)N=C1C)C(=O)O

Name:

5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid

ZINC:

ZINC000026444315

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).