Ligand
Ligand Name:   BHAP
Ligand Type:   non-polymer
Ligand ID:   COVPDB546 PubChem:   152675
Synonym(s):  
  •   bromohydroxyacetone phosphate
  • (3-bromo-2-oxo-propoxy)phosphonic acid
  • 24472-75-1
  • (3-bromo-2-oxopropyl) dihydrogen phosphate
  • bromoacetol phosphate
  • schembl7059626
  • dtxsid90179239
  • 3-bromo-2-oxopropyl dihydrogen phosphate
  • 2-propanone, 1-bromo-3-(phosphonooxy)-
  • q27458302
show 9 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1231238
Canonical SMILES:   OP(O)(=O)OCC(=O)CBr
Standard InChI:   InChI=1S/C3H6BrO5P/c4-1-3(5)2-9-10(6,7)8/h1-2H2,(H2,6,7,8)
Molecular Formula:   C3H6BrO5P Mol. Weight:   231.91362 logP:   0.0597
HBD:   2 HBA:   3
#Rotatable Bonds:   4 TPSA:   83.83

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Triosephosphate isomerase, glycosomal P04789 (TPIS_TRYBB) Trypanosoma brucei brucei 2VEM BBR
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SHOW
Triosephosphate isomerase P48499 (TPIS_LEIME) Leishmania mexicana 2Y63 BBR
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SHOW