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Target
5'-nucleotidase
Ligand
BDBM554473
Substrate
n/a
Meas. Tech.
Enzyme Activity In Vitro Assay
IC50
0.130±n/a nM
Citation
 Liu, J; Wu, H; Zhuang, L; Liu, S; Zhang, R; He, F; Tao, W CD73 inhibitors and therapeutic uses thereof US Patent  US11332492 Publication Date 5/17/2022 
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:
BDBM554473
Synonyms:
US11332492, Example 7
Type:
Small organic molecule
Emp. Form.:
C23H27ClN5O8P
Mol. Mass.:
567.916
SMILES:
COc1ccc2c(CCC22CN(C2)c2nc(Cl)nc3n(ncc23)[C@@H]2O[C@H](COCP(O)(O)=O)[C@@H](O)[C@H]2O)c1 |r|
Structure:
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