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Target
5'-nucleotidase
Ligand
BDBM50566235
Substrate
n/a
Meas. Tech.
ChEMBL_2094586 (CHEMBL4775849)
IC50
26±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:
BDBM50566235
Synonyms:
CHEMBL4791637
Type:
Small organic molecule
Emp. Form.:
C16H23ClN5O7P
Mol. Mass.:
463.81
SMILES:
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COCP(O)(O)=O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
Structure:
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