SEQ2FUN

BioLiP

PDB CCD ID: ETX
Number of entries in BioLiP: 2
Chemical formula: C4 H10 O2
InChI: InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
InChIKey: ZNQVEEAIQZEUHB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04OCCOCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCOCCO
Name:2-ETHOXYETHANOL
ChEMBL: CHEMBL119596
DrugBank: DB02249
ZINC: ZINC000001648262
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).