SEQ2FUN

BioLiP

PDB CCD ID: I6R
Number of entries in BioLiP: 2
Chemical formula: C6 H8 N2 O2
InChI: InChI=1S/C6H8N2O2/c1-2-4-3-5(9)8-6(10)7-4/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKey: JKUXMZDHLUUPGG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCC1=CC(=O)NC(=O)N1
Name:6-ethyl-1H-pyrimidine-2,4-dione
ChEMBL: CHEMBL5171838
ZINC: ZINC000001689128
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).