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Target
5'-nucleotidase
Ligand
BDBM50566243
Substrate
n/a
Meas. Tech.
ChEMBL_2094586 (CHEMBL4775849)
IC50
13±n/a nM
Citation
 Sharif, EU; Kalisiak, J; Lawson, KV; Miles, DH; Newcomb, E; Lindsey, EA; Rosen, BR; Debien, LPP; Chen, A; Zhao, X; Young, SW; Walker, NP; Sträter, N; Scaletti, ER; Jin, L; Xu, G; Leleti, MR; Powers, JP Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors. J Med Chem 64:845-860 (2021) [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:
BDBM50566243
Synonyms:
CHEMBL4787752
Type:
Small organic molecule
Emp. Form.:
C23H30N5O8P
Mol. Mass.:
535.4868
SMILES:
O[C@@H]1[C@@H](COCP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(COc3ccccc3)nc12 |r|
Structure:
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