SEQ2FUN

BioLiP

PDB CCD ID: VOK
Number of entries in BioLiP: 1
Chemical formula: C9 H14 N2 O3
InChI: InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)
InChIKey: FWJKNZONDWOGMI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC1(C(=O)NC(=O)N(C1=O)C)CC
ACDLabs 12.01O=C1NC(=O)N(C)C(=O)C1(CC)CC
CACTVS 3.385CCC1(CC)C(=O)NC(=O)N(C)C1=O
Name:5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione
ChEMBL: CHEMBL450
DrugBank: DB00463
ZINC: ZINC000005508997
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).