Reaction Details Report a problem with these data
Target
Ectonucleoside triphosphate diphosphohydrolase 2
Ligand
BDBM50378649
Substrate
n/a
Meas. Tech.
ChEMBL_2033476 (CHEMBL4687634)
Ki
19100±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 2
Synonyms:
Cd39l1 | ENTP2_RAT | Entpd2
Type:
PROTEIN
Mol. Mass.:
54401.50
Organism:
Rattus norvegicus
Description:
ChEMBL_612639
Residue:
495
Sequence:
MAGKLVSLVPPLLLAAAGLTGLLLLCVPTQDVREPPALKYGIVLDAGSSHTSMFVYKWPADKENDTGIVGQHSSCDVQGGGISSYANDPSKAGQSLVRCLEQALRDVPRDRHASTPLYLGATAGMRPFNLTSPEATARVLEAVTQTLTQYPFDFRGARILSGQDEGVFGWVTANYLLENFIKYGWVGRWIRPRKGTLGAMDLGGASTQITFETTSPSEDPGNEVHLRLYGQHYRVYTHSFLCYGRDQILLRLLASALQIHRFHPCWPKGYSTQVLLQEVYQSPCTMGQRPRAFNGSAIVSLSGTSNATLCRDLVSRLFNISSCPFSQCSFNGVFQPPVAGNFIAFSAFYYTVDFLTTVMGLPVGTLKQLEEATEITCNQTWTELQARVPGQKTRLADYCAVAMFIHQLLSRGYHFDERSFREVVFQKKAADTAVGWALGYMLNLTNLIPADLPGLRKGTHFSSWVALLLLFTVLILAALVLLLRQVRSAKSPGAL
  
Inhibitor
Name:
BDBM50378649
Synonyms:
CHEMBL597197
Type:
Small organic molecule
Emp. Form.:
C24H15N2O5S
Mol. Mass.:
443.452
SMILES:
Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3ccccc3c2)cc1S([O-])(=O)=O
Structure:
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