Covpdb









Ligand
Ligand Name:   (3S)‐3‐hydroxybutanal
Ligand Type:   non-polymer
Ligand ID:   COVPDB587 PubChem:   15558214
Synonym(s):  
  •   (s)-3-hydroxybutyraldehyde
  • zinc2041096
  • akos006343679
show 2 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C[C@H](O)CC=O
Standard InChI:   InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m0/s1
Molecular Formula:   C4H8O2 Mol. Weight:   88.05243 logP:   -0.0438
HBD:   1 HBA:   2
#Rotatable Bonds:   2 TPSA:   37.3

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Deoxyribose-phosphate aldolase P0A6L0 (DEOC_ECOLI) Escherichia coli (strain K12) 5EKY BU2
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