Reaction Details |
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Target | 5'-nucleotidase |
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Ligand | BDBM50527132 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1902301 (CHEMBL4404523) |
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Ki | 24±n/a nM |
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Citation | Bhattarai, S; Pippel, J; Scaletti, E; Idris, R; Freundlieb, M; Rolshoven, G; Renn, C; Lee, SY; Abdelrahman, A; Zimmermann, H; El-Tayeb, A; Müller, CE; Sträter, N 2-Substituted ?,?-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J Med Chem63:2941-2957 (2020) [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'-NT | 5'-nucleotidase (CD73) | 5NTD_HUMAN | CD_antigen=CD73 | Ecto-5'-nucleotidase | Ecto-5-nucleotidase (e5'NT) | NT5 | NT5E | NTE |
Type: | Enzyme |
Mol. Mass.: | 63371.54 |
Organism: | Homo sapiens (Human) |
Description: | P21589 |
Residue: | 574 |
Sequence: | MCPRAARAPATLLLALGAVLWPAAGAWELTILHTNDVHSRLEQTSEDSSKCVNASRCMGG
VARLFTKVQQIRRAEPNVLLLDAGDQYQGTIWFTVYKGAEVAHFMNALRYDAMALGNHEF
DNGVEGLIEPLLKEAKFPILSANIKAKGPLASQISGLYLPYKVLPVGDEVVGIVGYTSKE
TPFLSNPGTNLVFEDEITALQPEVDKLKTLNVNKIIALGHSGFEMDKLIAQKVRGVDVVV
GGHSNTFLYTGNPPSKEVPAGKYPFIVTSDDGRKVPVVQAYAFGKYLGYLKIEFDERGNV
ISSHGNPILLNSSIPEDPSIKADINKWRIKLDNYSTQELGKTIVYLDGSSQSCRFRECNM
GNLICDAMINNNLRHTDEMFWNHVSMCILNGGGIRSPIDERNNGTITWENLAAVLPFGGT
FDLVQLKGSTLKKAFEHSVHRYGQSTGEFLQVGGIHVVYDLSRKPGDRVVKLDVLCTKCR
VPSYDPLKMDEVYKVILPNFLANGGDGFQMIKDELLRHDSGDQDINVVSTYISKMKVIYP
AVEGRIKFSTGSHCHGSFSLIFLSLWAVIFVLYQ
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BDBM50527132 |
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n/a |
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Name | BDBM50527132 |
Synonyms: | CHEMBL4456465 |
Type | Small organic molecule |
Emp. Form. | C11H16ClN5O9P2 |
Mol. Mass. | 459.673 |
SMILES | Nc1nc(Cl)c2ncn([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| |
Structure |
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