Reaction Details Report a problem with these data
Target
5'-nucleotidase
Ligand
BDBM50546287
Substrate
n/a
Meas. Tech.
ChEMBL_2015107 (CHEMBL4668685)
IC50
0.058000±n/a nM
Citation
 Lawson, KV; Kalisiak, J; Lindsey, EA; Newcomb, ET; Leleti, MR; Debien, L; Rosen, BR; Miles, DH; Sharif, EU; Jeffrey, JL; Tan, JBL; Chen, A; Zhao, S; Xu, G; Fu, L; Jin, L; Park, TW; Berry, W; Moschütz, S; Scaletti, E; Sträter, N; Walker, NP; Young, SW; Walters, MJ; Schindler, U; Powers, JP Discovery of AB680: A Potent and Selective Inhibitor of CD73. J Med Chem 63:11448-11468 (2020) [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:
BDBM50546287
Synonyms:
CHEMBL4745002
Type:
Small organic molecule
Emp. Form.:
C19H24ClN5O9P2
Mol. Mass.:
563.822
SMILES:
C[C@@H](Nc1nc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: