Ligand
Ligand Name:   (5-formylfuran-2-yl)methyl acetate
Ligand Type:   non-polymer
Ligand ID:   COVPDB402 PubChem:   66349
Synonym(s):  
  •   10551-58-3
  • 5-acetoxymethyl-2-furaldehyde
  • 5-formylfurfuryl acetate
  • 5-acetoxymethylfurfural
  • 5-(acetoxymethyl)furfural
  • (5-formyl-2-furyl)methyl acetate
  • unii-5hh6180xyd
  • 2-furancarboxaldehyde, 5-[(acetyloxy)methyl]-
  • 5hh6180xyd
  • 5-(acetoxymethyl)furfural (amf)
  • 5-acetoxymethyl-2-furaldehyde, 97%
  • 5-(acetoxymethyl)furfural(amf)
  • einecs 234-137-4
  • mfcd00003233
  • acmc-2098gl
  • schembl51038
  • 5-acetoxymethyl-2-furanaldehyde
  • zinc47425
  • dtxsid00147166
  • act08699
  • anw-15235
  • sbb067647
  • (5-formyl-2-furyl)methyl acetate #
  • 5-acetoxymethyl-2-furaldehyde, 99%
  • akos015913443
  • 5-acetyloxymethyl-2-furancarboxaldehyde
  • mcule-2382269887
  • vz29988
  • ac-22813
  • as-61819
  • 5-(acetyloxy) methyl-2-furancarboxaldehyde
  • ab0078032
  • db-024832
  • 5-acetoxymethyl-2-furancarboxaldehyde
  • a1989
  • ft-0619922
  • st50308480
  • 551a583
  • j-200076
  • j-640042
  • j-800044
  • q17191361
show 41 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(=O)OCc1ccc(o1)C=O
Standard InChI:   InChI=1S/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H3
Molecular Formula:   C8H8O4 Mol. Weight:   168.04225 logP:   1.1552
HBD:   0 HBA:   4
#Rotatable Bonds:   3 TPSA:   56.51

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Hemoglobin subunit alpha P69905 (HBA_HUMAN) Homo sapiens (Human) 1QXE FUX
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SHOW
Hemoglobin subunit alpha P69905 (HBA_HUMAN) Homo sapiens (Human) 5URC 8MV
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SHOW
Hemoglobin subunit alpha P69905 (HBA_HUMAN) Homo sapiens (Human) 5URC FUX
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SHOW