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Target
5'-nucleotidase
Ligand
BDBM554456
Substrate
n/a
Meas. Tech.
Enzyme Activity In Vitro Assay
IC50
0.074±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:
BDBM554456
Synonyms:
US11332492, Example 5
Type:
Small organic molecule
Emp. Form.:
C21H22Cl2N5O8P
Mol. Mass.:
574.308
SMILES:
O[C@@H]1[C@@H](COCP(O)(O)=O)O[C@H]([C@@H]1O)n1ncc2c(nc(Cl)nc12)N1CC2(C1)OCc1cc(Cl)ccc21 |r|
Structure:
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