Reaction Details Report a problem with these data
Target
5'-nucleotidase
Ligand
BDBM50561236
Substrate
n/a
Meas. Tech.
ChEMBL_2074449 (CHEMBL4729983)
EC50
46±n/a nM
Citation
 Du, X; Moore, J; Blank, BR; Eksterowicz, J; Sutimantanapi, D; Yuen, N; Metzger, T; Chan, B; Huang, T; Chen, X; Chen, Y; Duong, F; Kong, W; Chang, JH; Sun, J; Zavorotinskaya, T; Ye, Q; Junttila, MR; Ndubaku, C; Friedman, LS; Fantin, VR; Sun, D Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production. J Med Chem 63:10433-10459 (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:
BDBM50561236
Synonyms:
CHEMBL4786598 | US11325938, Ex 86
Type:
Small organic molecule
Emp. Form.:
C18H27ClN5O9P
Mol. Mass.:
523.862
SMILES:
OCC(CO)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc2c(NC3CCCC3)nc(Cl)nc12)P(O)(O)=O |r|
Structure:
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