Reaction Details |
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Target | 5'-nucleotidase |
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Ligand | BDBM50395094 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_859457 (CHEMBL2167535) |
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IC50 | 9460±n/a nM |
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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 Chem55:6576-81 (2012) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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5'-nucleotidase |
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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: | MRPAAATAPKWLLLALSALLPLWPTAKSWELTIMHTNDVHSRLEQTSDDSTKCLNASLCV
GGVARLFTKVQQIRKEEPNVLLLDAGDQYQGTIWFTVYKGLEVAHFMNLLGYDAMALGNH
EFDNGVEGLIDPLLRNVKFPILSANIKARGPLAPQISGLYLPYKVLSVGGEVVGIVGYTS
KETPFLSNPGTNLVFEDEVTALQPEVDKLKTLNVNKIIALGHSGFEMDKLIAQKVRGVDV
VVGGHTNTFLYTGNPPSKEVPAGKYPFIVTSDDGRKVPVVQAYAFGKYLGYLKVEFDDKG
NVVTSYGNPILLNSTIREDAAIKADINQWRIKLDNYSTQELGRTIVYLNGSAQECRFREC
NMGNLICDAMINNNLRHPDEMFWNHVSMCIVNGGGIRSPIDERNNGTITWENLAAVLPFG
GTFDLVQLKGSTLKKAFEHSVHRYGQSTGEFLQVGGIHVVYDISRKPWDRVVQLKVLCTK
CRVPIYEPLEMDKVYKVVLPSYLVNGGDGFQMIKDELLKHDSGDQDISVVSEYISKMKVI
YPAVEGRIKFSAASHYQGSFPLIILSFWAVILVLYQ
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BDBM50395094 |
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n/a |
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Name | BDBM50395094 |
Synonyms: | CHEMBL2164291 |
Type | Small organic molecule |
Emp. Form. | C13H12N4O5S |
Mol. Mass. | 336.323 |
SMILES | NS(=O)(=O)c1ccc(\[NH+]=N\[CH-]c2ccccc2O)c(c1)[N+]([O-])=O |
Structure |
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