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Target5'-nucleotidase
LigandBDBM50583395
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2157216 (CHEMBL5041876)
Ki 1.1±n/a nM
Citation Scortichini, MIdris, RMMoschütz, SKeim, ASalmaso, VDobelmann, COliva, PLosenkova, KIrjala, HVaittinen, SSandholm, JYegutkin, GGSträter, NJunker, AMüller, CEJacobson, KA Structure-Activity Relationship of 3-Methylcytidine-5'-?,?-methylenediphosphates as CD73 Inhibitors. J Med Chem65:2409-2433 (2022) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
5'-nucleotidase
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:
MCPRAARAPATLLLALGAVLWPAAGAWELTILHTNDVHSRLEQTSEDSSKCVNASRCMGG
VARLFTKVQQIRRAEPNVLLLDAGDQYQGTIWFTVYKGAEVAHFMNALRYDAMALGNHEF
DNGVEGLIEPLLKEAKFPILSANIKAKGPLASQISGLYLPYKVLPVGDEVVGIVGYTSKE
TPFLSNPGTNLVFEDEITALQPEVDKLKTLNVNKIIALGHSGFEMDKLIAQKVRGVDVVV
GGHSNTFLYTGNPPSKEVPAGKYPFIVTSDDGRKVPVVQAYAFGKYLGYLKIEFDERGNV
ISSHGNPILLNSSIPEDPSIKADINKWRIKLDNYSTQELGKTIVYLDGSSQSCRFRECNM
GNLICDAMINNNLRHTDEMFWNHVSMCILNGGGIRSPIDERNNGTITWENLAAVLPFGGT
FDLVQLKGSTLKKAFEHSVHRYGQSTGEFLQVGGIHVVYDLSRKPGDRVVKLDVLCTKCR
VPSYDPLKMDEVYKVILPNFLANGGDGFQMIKDELLRHDSGDQDINVVSTYISKMKVIYP
AVEGRIKFSTGSHCHGSFSLIFLSLWAVIFVLYQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50583395
n/a
NameBDBM50583395
Synonyms:CHEMBL5084248
TypeSmall organic molecule
Emp. Form.C31H54F3N5O11P2
Mol. Mass.791.7301
SMILESCCN(CC)CC.CCN(CC)CC.Cn1c(=O)n(cc\c1=N\OCc1ccc(cc1)C(F)(F)F)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Structure
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