BioLiP

PDB

BioLiP

PDB CCD ID:

OS0

Number of entries in BioLiP:

Chemical formula:

C4 H6 N2 O2

InChI:

InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-3,7H,(H2,5,6,8)

InChIKey:

DEAAWXYGBWCVJW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[CH]1NC(=O)NC=C1
OpenEye OEToolkits 2.0.7	C1=CNC(=O)NC1O
CACTVS 3.385	O[C@H]1NC(=O)NC=C1

Name:

4-oxidanyl-3,4-dihydro-1H-pyrimidin-2-one

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).