BioLiP

PDB

BioLiP

PDB CCD ID:

A1BWI

Number of entries in BioLiP:

Chemical formula:

C6 H8 N2 O3

InChI:

InChI=1S/C6H8N2O3/c1-2-3-4(9)7-6(11)8-5(3)10/h3H,2H2,1H3,(H2,7,8,9,10,11)

InChIKey:

FMTLDVACNZDTQL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	CCC1C(=O)NC(=O)NC1=O
ACDLabs 14.52	O=C1NC(=O)NC(=O)C1CC

Name:

5-ethyl-1,3-diazinane-2,4,6-trione

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).