| Reaction Details |
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 | Report a problem with these data |
| Target | 5'-nucleotidase |
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| Ligand | BDBM50395095 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_859457 (CHEMBL2167535) |
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| IC50 | 7100±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 |
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| Synonyms: | 5'-nucleotidase | 5NTD_RAT | Ecto-5'-nucleotidase (e5'NT) | Ecto-5-nucleotidase (e5'NT) | NT | Nt5 | Nt5e | Nte |
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| Type: | Enzyme |
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| Mol. Mass.: | 63971.44 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | P21588 |
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| Residue: | 576 |
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| Sequence: | MRPAAATAPKWLLLALSALLPLWPTAKSWELTIMHTNDVHSRLEQTSDDSTKCLNASLCV
GGVARLFTKVQQIRKEEPNVLLLDAGDQYQGTIWFTVYKGLEVAHFMNLLGYDAMALGNH
EFDNGVEGLIDPLLRNVKFPILSANIKARGPLAPQISGLYLPYKVLSVGGEVVGIVGYTS
KETPFLSNPGTNLVFEDEVTALQPEVDKLKTLNVNKIIALGHSGFEMDKLIAQKVRGVDV
VVGGHTNTFLYTGNPPSKEVPAGKYPFIVTSDDGRKVPVVQAYAFGKYLGYLKVEFDDKG
NVVTSYGNPILLNSTIREDAAIKADINQWRIKLDNYSTQELGRTIVYLNGSAQECRFREC
NMGNLICDAMINNNLRHPDEMFWNHVSMCIVNGGGIRSPIDERNNGTITWENLAAVLPFG
GTFDLVQLKGSTLKKAFEHSVHRYGQSTGEFLQVGGIHVVYDISRKPWDRVVQLKVLCTK
CRVPIYEPLEMDKVYKVVLPSYLVNGGDGFQMIKDELLKHDSGDQDISVVSEYISKMKVI
YPAVEGRIKFSAASHYQGSFPLIILSFWAVILVLYQ
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| BDBM50395095 |
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| n/a |
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| Name | BDBM50395095 |
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| Synonyms: | CHEMBL2164294 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H22N4O4S3 |
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| Mol. Mass. | 574.694 |
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| SMILES | O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1)c1ccccc1 |
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| Structure | 
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