Ligand
Ligand Name:   (2-hydroxyethoxy)acetaldehyde
Ligand Type:   non-polymer
Ligand ID:   COVPDB82 PubChem:   176960
Synonym(s):  
  •   2-(2-hydroxyethoxy)acetaldehyde
  • 17976-70-4
  • acetaldehyde, 2-(2-hydroxyethoxy)-
  • acetaldehyde, (2-hydroxyethoxy)-
  • acetaldehyde,2-(2-hydroxyethoxy)-
  • 2-hydroxyethoxyacetaldehyde
  • 2-(2-hydroxyethyloxy)ethanal
  • schembl810347
  • dtxsid60170859
  • zinc5113639
  • akos015915540
  • ft-0658613
  • 976h704
  • a812483
  • q27452172
show 14 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OCCOCC=O
Standard InChI:   InChI=1S/C4H8O3/c5-1-3-7-4-2-6/h1,6H,2-4H2
Molecular Formula:   C4H8O3 Mol. Weight:   104.04734 logP:   -0.8058
HBD:   1 HBA:   3
#Rotatable Bonds:   4 TPSA:   46.53

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Putative betaine aldehyde dehyrogenase Q56R04 (Q56R04_SOLLC) Solanum lycopersicum (Tomato) (Lycopersicon esculentum) 4I9B 1KA
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