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Target
5'-nucleotidase
Ligand
BDBM50523550
Substrate
n/a
Meas. Tech.
ChEMBL_1890511 (CHEMBL4392265)
Ki
276±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'-nucleotidase | 5NTD_RAT | Ecto-5'-nucleotidase (e5'NT) | Ecto-5-nucleotidase (e5'NT) | NT | Nt5 | Nt5e | Nte
Type:
Enzyme
Mol. Mass.:
63971.44
Organism:
Rattus norvegicus (Rat)
Description:
P21588
Residue:
576
Sequence:
MRPAAATAPKWLLLALSALLPLWPTAKSWELTIMHTNDVHSRLEQTSDDSTKCLNASLCVGGVARLFTKVQQIRKEEPNVLLLDAGDQYQGTIWFTVYKGLEVAHFMNLLGYDAMALGNHEFDNGVEGLIDPLLRNVKFPILSANIKARGPLAPQISGLYLPYKVLSVGGEVVGIVGYTSKETPFLSNPGTNLVFEDEVTALQPEVDKLKTLNVNKIIALGHSGFEMDKLIAQKVRGVDVVVGGHTNTFLYTGNPPSKEVPAGKYPFIVTSDDGRKVPVVQAYAFGKYLGYLKVEFDDKGNVVTSYGNPILLNSTIREDAAIKADINQWRIKLDNYSTQELGRTIVYLNGSAQECRFRECNMGNLICDAMINNNLRHPDEMFWNHVSMCIVNGGGIRSPIDERNNGTITWENLAAVLPFGGTFDLVQLKGSTLKKAFEHSVHRYGQSTGEFLQVGGIHVVYDISRKPWDRVVQLKVLCTKCRVPIYEPLEMDKVYKVVLPSYLVNGGDGFQMIKDELLKHDSGDQDISVVSEYISKMKVIYPAVEGRIKFSAASHYQGSFPLIILSFWAVILVLYQ
  
Inhibitor
Name:
BDBM50523550
Synonyms:
CHEMBL4462889
Type:
Small organic molecule
Emp. Form.:
C12H16N2O11P2
Mol. Mass.:
426.2098
SMILES:
O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(C#C)c(=O)[nH]c1=O |r|
Structure:
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