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Target
Ectonucleoside triphosphate diphosphohydrolase 3
Ligand
BDBM50179358
Substrate
n/a
Meas. Tech.
ChEMBL_2033466 (CHEMBL4687624)
Ki
18000±n/a nM
Citation
 Jeffrey, JL; Lawson, KV; Powers, JP Targeting Metabolism of Extracellular Nucleotides via Inhibition of Ectonucleotidases CD73 and CD39. J Med Chem 63:13444-13465 (2020) [PubMed]  Article 
Target
Name:
Ectonucleoside triphosphate diphosphohydrolase 3
Synonyms:
CD39L3 | ENTP3_HUMAN | ENTPD3
Type:
PROTEIN
Mol. Mass.:
59103.51
Organism:
Homo sapiens (Human)
Description:
ChEMBL_612642
Residue:
529
Sequence:
MFTVLTRQPCEQAGLKALYRTPTIIALVVLLVSIVVLVSITVIQIHKQEVLPPGLKYGIVLDAGSSRTTVYVYQWPAEKENNTGVVSQTFKCSVKGSGISSYGNNPQDVPRAFEECMQKVKGQVPSHLHGSTPIHLGATAGMRLLRLQNETAANEVLESIQSYFKSQPFDFRGAQIISGQEEGVYGWITANYLMGNFLEKNLWHMWVHPHGVETTGALDLGGASTQISFVAGEKMDLNTSDIMQVSLYGYVYTLYTHSFQCYGRNEAEKKFLAMLLQNSPTKNHLTNPCYPRDYSISFTMGHVFDSLCTVDQRPESYNPNDVITFEGTGDPSLCKEKVASIFDFKACHDQETCSFDGVYQPKIKGPFVAFAGFYYTASALNLSGSFSLDTFNSSTWNFCSQNWSQLPLLLPKFDEVYARSYCFSANYIYHLFVNGYKFTEETWPQIHFEKEVGNSSIAWSLGYMLSLTNQIPAESPLIRLPIEPPVFVGTLAFFTAAALLCLAFLAYLCSATRRKRHSEHAFDHAVDSD
  
Inhibitor
Name:
BDBM50179358
Synonyms:
CHEMBL1206141
Type:
Small organic molecule
Emp. Form.:
C15H24Br2N5O12P3
Mol. Mass.:
719.107
SMILES:
CCN(CC)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(O)=O)[C@@H](O)[C@H]1O
Structure:
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