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Target
5'-nucleotidase
Ligand
BDBM50571222
Substrate
n/a
Meas. Tech.
ChEMBL_2114161 (CHEMBL4823011)
IC50
85±n/a nM
Citation
 Oliva, P; Scortichini, M; Dobelmann, C; Jain, S; Gopinatth, V; Toti, KS; Phung, NB; Junker, A; Jacobson, KA Structure-activity relationships of pyrimidine nucleotides containing a 5'-?,?-methylene diphosphonate at the P2Y Bioorg Med Chem Lett 45:0 (2021) [PubMed]  Article 
Target
Name:
5'-nucleotidase
Synonyms:
5'-nucleotidase | 5NTD_RAT | Ecto-5'-nucleotidase (e5'NT) | Ecto-5-nucleotidase (e5'NT) | NT | Nt5 | Nt5e | Nte
Type:
Enzyme
Mol. Mass.:
63971.44
Organism:
Rattus norvegicus (Rat)
Description:
P21588
Residue:
576
Sequence:
MRPAAATAPKWLLLALSALLPLWPTAKSWELTIMHTNDVHSRLEQTSDDSTKCLNASLCVGGVARLFTKVQQIRKEEPNVLLLDAGDQYQGTIWFTVYKGLEVAHFMNLLGYDAMALGNHEFDNGVEGLIDPLLRNVKFPILSANIKARGPLAPQISGLYLPYKVLSVGGEVVGIVGYTSKETPFLSNPGTNLVFEDEVTALQPEVDKLKTLNVNKIIALGHSGFEMDKLIAQKVRGVDVVVGGHTNTFLYTGNPPSKEVPAGKYPFIVTSDDGRKVPVVQAYAFGKYLGYLKVEFDDKGNVVTSYGNPILLNSTIREDAAIKADINQWRIKLDNYSTQELGRTIVYLNGSAQECRFRECNMGNLICDAMINNNLRHPDEMFWNHVSMCIVNGGGIRSPIDERNNGTITWENLAAVLPFGGTFDLVQLKGSTLKKAFEHSVHRYGQSTGEFLQVGGIHVVYDISRKPWDRVVQLKVLCTKCRVPIYEPLEMDKVYKVVLPSYLVNGGDGFQMIKDELLKHDSGDQDISVVSEYISKMKVIYPAVEGRIKFSAASHYQGSFPLIILSFWAVILVLYQ
  
Inhibitor
Name:
BDBM50571222
Synonyms:
CHEMBL4871928
Type:
Small organic molecule
Emp. Form.:
C29H52FN5O11P2
Mol. Mass.:
727.696
SMILES:
CCN(CC)CC.CCN(CC)CC.O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(F)\c(=N\OCc2ccccc2)[nH]c1=O |r|
Structure:
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