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Target
5'-nucleotidase
Ligand
BDBM50561931
Substrate
n/a
Meas. Tech.
ChEMBL_2076335 (CHEMBL4731869)
IC50
520±n/a nM
Citation
 Ashraf, A; Shafiq, Z; Khan Jadoon, MS; Tahir, MN; Pelletier, J; Sevigny, J; Yaqub, M; Iqbal, J Synthesis, Characterization, and  ACS Med Chem Lett 11:2397-2405 (2020) [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:
BDBM50561931
Synonyms:
CHEMBL4746318
Type:
Small organic molecule
Emp. Form.:
C16H11F3N6O2
Mol. Mass.:
376.2927
SMILES:
CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2cc(OC(F)(F)F)ccc12 |c:13|
Structure:
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