BioLiP

PDB

BioLiP

PDB CCD ID:

OG6

Number of entries in BioLiP:

Chemical formula:

C5 H6 N2 O4

InChI:

InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1,4,9-10H,(H2,6,7,8,11)

InChIKey:

DUGHQFVNXIWPEA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(O)C1=CC(=O)NC(=O)N1
OpenEye OEToolkits 2.0.7	C1=C(NC(=O)NC1=O)C(O)O

Name:

6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione;
6-Formyl-uracil hydrate

ZINC:

ZINC000039953727

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).