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Target
5'-nucleotidase
Ligand
BDBM50561221
Substrate
n/a
Meas. Tech.
ChEMBL_2094589 (CHEMBL4775852)
IC50
3.0±n/a nM
Citation
 Sharif, EU; Kalisiak, J; Lawson, KV; Miles, DH; Newcomb, E; Lindsey, EA; Rosen, BR; Debien, LPP; Chen, A; Zhao, X; Young, SW; Walker, NP; Sträter, N; Scaletti, ER; Jin, L; Xu, G; Leleti, MR; Powers, JP Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors. J Med Chem 64:845-860 (2021) [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:
BDBM50561221
Synonyms:
CHEMBL4745473 | US11377469, Example 95
Type:
Small organic molecule
Emp. Form.:
C16H23ClN5O7P
Mol. Mass.:
463.81
SMILES:
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COCP(O)(O)=O)n1ncc2c(NC3CCCC3)nc(Cl)nc12 |r|
Structure:
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