Reaction Details Report a problem with these data
Target
5'-nucleotidase
Ligand
BDBM650343
Substrate
n/a
Meas. Tech.
CD73 Biochemical IC50 Assay
IC50
0.140±n/a nM
Citation
 Bartlett, MJ; Chin, GF; Clarke, MO; Cosman, JL; Ensan, D; Goyal, B; Ho, S; Hui, HC; Mackman, RL; Mish, MR; Schroeder, SD; Shapiro, ND; Siegel, DS; Tang, DT; Yang, H CD73 COMPOUNDS US Patent  US20240043427 Publication Date 2/8/2024 
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:
Human
Description:
P21589
Residue:
574
Sequence:
MCPRAARAPATLLLALGAVLWPAAGAWELTILHTNDVHSRLEQTSEDSSKCVNASRCMGGVARLFTKVQQIRRAEPNVLLLDAGDQYQGTIWFTVYKGAEVAHFMNALRYDAMALGNHEFDNGVEGLIEPLLKEAKFPILSANIKAKGPLASQISGLYLPYKVLPVGDEVVGIVGYTSKETPFLSNPGTNLVFEDEITALQPEVDKLKTLNVNKIIALGHSGFEMDKLIAQKVRGVDVVVGGHSNTFLYTGNPPSKEVPAGKYPFIVTSDDGRKVPVVQAYAFGKYLGYLKIEFDERGNVISSHGNPILLNSSIPEDPSIKADINKWRIKLDNYSTQELGKTIVYLDGSSQSCRFRECNMGNLICDAMINNNLRHTDEMFWNHVSMCILNGGGIRSPIDERNNGTITWENLAAVLPFGGTFDLVQLKGSTLKKAFEHSVHRYGQSTGEFLQVGGIHVVYDLSRKPGDRVVKLDVLCTKCRVPSYDPLKMDEVYKVILPNFLANGGDGFQMIKDELLRHDSGDQDINVVSTYISKMKVIYPAVEGRIKFSTGSHCHGSFSLIFLSLWAVIFVLYQ
  
Inhibitor
Name:
BDBM650343
Synonyms:
US20240043427, Example 438
Type:
Small organic molecule
Emp. Form.:
C16H17F2N7O5
Mol. Mass.:
425.3469
SMILES:
CC(C)NC(=O)OCC(F)(F)COc1cc(nn2ncnc12)-c1c[nH]c(=O)[nH]c1=O
Structure:
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