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Target
5'-nucleotidase
Ligand
BDBM18136
Substrate
n/a
Meas. Tech.
ChEMBL_2232261 (CHEMBL5146033)
IC50
4630±n/a nM
Citation
 Zhang, Y; Ye, S; Wang, Y; Wang, C; Zhu, Y; Wu, Y; Zhang, Y; Zhang, H; Miao, Z Discovery and optimization of betulinic acid derivatives as novel potent CD73 inhibitors. Bioorg Med Chem 59:0 (2022) [PubMed] 
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:
BDBM18136
Synonyms:
ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl]phosphonic acid | alpha, beta-methyleneadenosine 5 -diphosphate | cid_92199
Type:
Nucleoside or nucleotide
Emp. Form.:
C11H17N5O9P2
Mol. Mass.:
425.2283
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Structure:
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