SEQ2FUN

BioLiP

PDB CCD ID: DXE
Number of entries in BioLiP: 19
Chemical formula: C4 H10 O2
InChI: InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
InChIKey: XTHFKEDIFFGKHM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O(C)CCOC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COCCOC
Name:1,2-DIMETHOXYETHANE
ChEMBL: CHEMBL1232411
DrugBank: DB01749
ZINC: ZINC000001690289
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).