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Target
5'-nucleotidase
Ligand
BDBM50583397
Substrate
n/a
Meas. Tech.
ChEMBL_2157216 (CHEMBL5041876)
Ki
0.848000±n/a nM
Citation
 Scortichini, M; Idris, RM; Moschütz, S; Keim, A; Salmaso, V; Dobelmann, C; Oliva, P; Losenkova, K; Irjala, H; Vaittinen, S; Sandholm, J; Yegutkin, GG; Sträter, N; Junker, A; Müller, CE; Jacobson, KA Structure-Activity Relationship of 3-Methylcytidine-5'-?,?-methylenediphosphates as CD73 Inhibitors. J Med Chem 65:2409-2433 (2022) [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:
BDBM50583397
Synonyms:
CHEMBL5086866
Type:
Small organic molecule
Emp. Form.:
C32H57N5O13P2
Mol. Mass.:
781.7682
SMILES:
CCN(CC)CC.CCN(CC)CC.COC(=O)c1ccc(CO\N=c2\ccn([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c(=O)n2C)cc1 |r|
Structure:
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