SEQ2FUN

BioLiP

PDB CCD ID: DIO
Number of entries in BioLiP: 0
Chemical formula: C4 H8 O2
InChI: InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChIKey: RYHBNJHYFVUHQT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C1COCCO1
ACDLabs 10.04O1CCOCC1
Name:1,4-DIETHYLENE DIOXIDE
ChEMBL: CHEMBL453716
DrugBank: DB03316
ZINC: ZINC000001648204
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).