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Target
5'-nucleotidase
Ligand
BDBM50546288
Substrate
n/a
Meas. Tech.
ChEMBL_2015111 (CHEMBL4668689)
IC50
0.160000±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:
3.1.3.5 | 5NTD_MOUSE | CD_antigen=CD73 | Nt5 | Nt5e | Nte
Type:
PROTEIN
Mol. Mass.:
63864.64
Organism:
Mus musculus
Description:
ChEMBL_120102
Residue:
576
Sequence:
MRPAAAKVPKWLLLALSALLPQWPAASAWELTILHTNDVHSRLEQTSDDSTKCLNASLCVGGVARLFTKVQQIRKEEPNVLFLDAGDQYQGTIWFTVYKGLEVAHFMNILGYDAMALGNHEFDNGVEGLIDPLLRNVKFPILSANIKARGPLAHQISGLFLPSKVLSVGGEVVGIVGYTSKETPFLSNPGTNLVFEDEISALQPEVDKLKTLNVNKIIALGHSGFEMDKLIAQKVRGVDIVVGGHSNTFLYTGNPPSKEVPAGKYPFIVTADDGRQVPVVQAYAFGKYLGYLKVEFDDKGNVITSYGNPILLNSSIPEDATIKADINQWRIKLDNYSTQELGRTIVYLDGSTQTCRFRECNMGNLICDAMINNNLRHPDEMFWNHVSMCIVNGGGIRSPIDEKNNGTITWENLAAVLPFGGTFDLVQLKGSTLKKAFEHSVHRYGQSTGEFLQVGGIHVVYDINRKPWNRVVQLEVLCTKCRVPIYEPLEMDKVYKVTLPSYLANGGDGFQMIKDELLKHDSGDQDISVVSEYISKMKVVYPAVEGRIKFSAASHYQGSFPLVILSFWAMILILYQ
  
Inhibitor
Name:
BDBM50546288
Synonyms:
CHEMBL4743437
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:
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