Covpdb









Ligand
Ligand Name:   Phosphonoacetaldehyde
Ligand Type:   non-polymer
Ligand ID:   COVPDB1233 PubChem:   490
Synonym(s):  
  •   (2-oxoethyl)phosphonic acid
  • 2-phosphonoacetaldehyde
  • 16051-76-6
  • 2-oxoethylphosphonate
  • acetylphosphonate
  • phosphonic acid, (2-oxoethyl)-
  • 2-oxoethylphosphonic acid
  • schembl261595
  • chebi:18124
  • dtxsid60166898
  • db03174
  • c03167
  • q27094110
show 12 synonym(s)
DrugBank:   DB03174 ChEMBL:   CHEMBL1235378
Canonical SMILES:   OP(O)(=O)CC=O
Standard InChI:   InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)
Molecular Formula:   C2H5O4P Mol. Weight:   123.992546 logP:   -0.637
HBD:   2 HBA:   2
#Rotatable Bonds:   2 TPSA:   74.6

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Phosphonoacetaldehyde dehydrogenase Q92UV7 (PHNY_RHIME) Rhizobium meliloti (strain 1021) (Ensifer meliloti) (Sinorhizobium meliloti) 4I3U POA
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Phosphonoacetaldehyde dehydrogenase Q92UV7 (PHNY_RHIME) Rhizobium meliloti (strain 1021) (Ensifer meliloti) (Sinorhizobium meliloti) 4I3V POA
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SHOW