BioLiP

PDB

BioLiP

PDB CCD ID:

TEV

Number of entries in BioLiP:

Chemical formula:

C6 H6 N2 O3

InChI:

InChI=1S/C6H6N2O3/c1-3-2-4(5(9)10)8-6(11)7-3/h2H2,1H3,(H,9,10)

InChIKey:

ZTBNONONIFESFB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1=NC(=O)N=C(C1)C(=O)O
ACDLabs 12.01	O=C1N=C(CC(=N1)C)C(O)=O
CACTVS 3.385	CC1=NC(=O)N=C(C1)C(O)=O

Name:

6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid

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).