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Target
5'-nucleotidase
Ligand
BDBM50395095
Substrate
n/a
Meas. Tech.
ChEMBL_859457 (CHEMBL2167535)
IC50
7100±n/a nM
Citation
 Ripphausen, P; Freundlieb, M; Brunschweiger, A; Zimmermann, H; Müller, CE; Bajorath, J Virtual screening identifies novel sulfonamide inhibitors of ecto-5'-nucleotidase. J Med Chem 55:6576-81 (2012) [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:
BDBM50395095
Synonyms:
CHEMBL2164294
Type:
Small organic molecule
Emp. Form.:
C28H22N4O4S3
Mol. Mass.:
574.694
SMILES:
O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1)c1ccccc1
Structure:
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