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Target
5'-nucleotidase
Ligand
BDBM50336787
Substrate
n/a
Meas. Tech.
ChEMBL_612633 (CHEMBL625977)
Ki
12300±n/a nM
Citation
 Baqi, Y; Lee, SY; Iqbal, J; Ripphausen, P; Lehr, A; Scheiff, AB; Zimmermann, H; Bajorath, J; Müller, CE Development of potent and selective inhibitors of ecto-5'-nucleotidase based on an anthraquinone scaffold. J Med Chem 53:2076-86 (2010) [PubMed]  Article  BDB Entry
Target
Name:
5'-nucleotidase
Synonyms:
5'-nucleotidase | Ecto-5'-nucleotidase (e5'NT) | Ecto-5-nucleotidase (e5'NT) | NT
Type:
Enzyme
Mol. Mass.:
63971.44
Organism:
Rattus norvegicus (Rat)
Description:
P21588
Residue:
576
Sequence:
MRPAAATAPKWLLLALSALLPLWPTAKSWELTIMHTNDVHSRLEQTSDDSTKCLNASLCVGGVARLFTKVQQIRKEEPNVLLLDAGDQYQGTIWFTVYKGLEVAHFMNLLGYDAMALGNHEFDNGVEGLIDPLLRNVKFPILSANIKARGPLAPQISGLYLPYKVLSVGGEVVGIVGYTSKETPFLSNPGTNLVFEDEVTALQPEVDKLKTLNVNKIIALGHSGFEMDKLIAQKVRGVDVVVGGHTNTFLYTGNPPSKEVPAGKYPFIVTSDDGRKVPVVQAYAFGKYLGYLKVEFDDKGNVVTSYGNPILLNSTIREDAAIKADINQWRIKLDNYSTQELGRTIVYLNGSAQECRFRECNMGNLICDAMINNNLRHPDEMFWNHVSMCIVNGGGIRSPIDERNNGTITWENLAAVLPFGGTFDLVQLKGSTLKKAFEHSVHRYGQSTGEFLQVGGIHVVYDISRKPWDRVVQLKVLCTKCRVPIYEPLEMDKVYKVVLPSYLVNGGDGFQMIKDELLKHDSGDQDISVVSEYISKMKVIYPAVEGRIKFSAASHYQGSFPLIILSFWAVILVLYQ
  
Inhibitor
Name:
BDBM50336787
Synonyms:
CHEMBL445413 | sodium 1-amino-9,10-dioxo-4-(m-tolylamino)-9,10-dihydroanthracene-2-sulfonate | sodium 4-(m-toluidino)-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Type:
Small organic molecule
Emp. Form.:
C21H15N2O5S
Mol. Mass.:
407.42
SMILES:
Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
Structure:
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