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Target
5'-nucleotidase
Ligand
BDBM435851
Substrate
n/a
Meas. Tech.
Enzyme In Vitro Assay
IC50
48.0±n/a nM
Citation
 Billedeau, RJ; Li, J; Chen, L Ectonucleotidase inhibitors and methods of use thereof US Patent  US11034715 Publication Date 6/15/2021 
Target
Name:
5'-nucleotidase
Synonyms:
5'-NT | 5'-nucleotidase (CD73) | 5NTD_HUMAN | CD_antigen=CD73 | Ecto-5'-nucleotidase | Ecto-5-nucleotidase (e5'NT) | NT5 | NT5E | NTE
Type:
Enzyme
Mol. Mass.:
63371.54
Organism:
Homo sapiens (Human)
Description:
P21589
Residue:
574
Sequence:
MCPRAARAPATLLLALGAVLWPAAGAWELTILHTNDVHSRLEQTSEDSSKCVNASRCMGGVARLFTKVQQIRRAEPNVLLLDAGDQYQGTIWFTVYKGAEVAHFMNALRYDAMALGNHEFDNGVEGLIEPLLKEAKFPILSANIKAKGPLASQISGLYLPYKVLPVGDEVVGIVGYTSKETPFLSNPGTNLVFEDEITALQPEVDKLKTLNVNKIIALGHSGFEMDKLIAQKVRGVDVVVGGHSNTFLYTGNPPSKEVPAGKYPFIVTSDDGRKVPVVQAYAFGKYLGYLKIEFDERGNVISSHGNPILLNSSIPEDPSIKADINKWRIKLDNYSTQELGKTIVYLDGSSQSCRFRECNMGNLICDAMINNNLRHTDEMFWNHVSMCILNGGGIRSPIDERNNGTITWENLAAVLPFGGTFDLVQLKGSTLKKAFEHSVHRYGQSTGEFLQVGGIHVVYDLSRKPGDRVVKLDVLCTKCRVPSYDPLKMDEVYKVILPNFLANGGDGFQMIKDELLRHDSGDQDINVVSTYISKMKVIYPAVEGRIKFSTGSHCHGSFSLIFLSLWAVIFVLYQ
  
Inhibitor
Name:
BDBM435851
Synonyms:
US10570167, Cpd. # 177 | US11034715, Cpd. # 177
Type:
Small organic molecule
Emp. Form.:
C24H23ClFN7O7
Mol. Mass.:
575.934
SMILES:
Cc1[nH]ncc1-c1ccc(CC(OC[C@H]2O[C@H]([C@@H](F)[C@@H]2O)n2cnc3c(N)nc(Cl)nc23)(C(O)=O)C(O)=O)cc1 |r|
Structure:
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