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Target
5'-nucleotidase
Ligand
BDBM50523511
Substrate
n/a
Meas. Tech.
ChEMBL_1890514 (CHEMBL4392268)
Ki
8.0±n/a nM
Citation
 Junker, A; Renn, C; Dobelmann, C; Namasivayam, V; Jain, S; Losenkova, K; Irjala, H; Duca, S; Balasubramanian, R; Chakraborty, S; Börgel, F; Zimmermann, H; Yegutkin, GG; Müller, CE; Jacobson, KA Structure-Activity Relationship of Purine and Pyrimidine Nucleotides as Ecto-5'-Nucleotidase (CD73) Inhibitors. J Med Chem 62:3677-3695 (2019) [PubMed]  Article 
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:
BDBM50523511
Synonyms:
CHEMBL4443977
Type:
Small organic molecule
Emp. Form.:
C18H25N3O11P2
Mol. Mass.:
521.3521
SMILES:
Cn1c(=O)n(cc\c1=N/OCc1ccccc1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Structure:
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