| Reaction Details |
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 | Report a problem with these data |
| Target | Adenosine kinase |
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| Ligand | BDBM14494 |
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| Substrate/Competitor | BDBM14487 |
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| Meas. Tech. | ADK Inhibition Assay |
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| pH | 7.5±n/a |
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| Temperature | 296.15±n/a K |
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| IC50 | 2.5±n/a nM |
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| Citation |  Muchmore, SW; Smith, RA; Stewart, AO; Cowart, MD; Gomtsyan, A; Matulenko, MA; Yu, H; Severin, JM; Bhagwat, SS; Lee, CH; Kowaluk, EA; Jarvis, MF; Jakob, CL Crystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes. J Med Chem49:6726-31 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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| Adenosine kinase |
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| Name: | Adenosine kinase |
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| Synonyms: | ADENOSINE | ADK_RAT | Adenosine 5-phosphotransferase | Adenosine Kinase (AK) | Adenosine kinase | Adk |
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| Type: | Enzyme |
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| Mol. Mass.: | 40130.14 |
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| Organism: | Rattus norvegicus (rat) |
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| Description: | Rat brain cytosol as enzyme source. |
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| Residue: | 361 |
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| Sequence: | MAAADEPKPKKLKVEAPEALSENVLFGMGNPLLDISAVVDKDFLDKYSLKPNDQILAEDK
HKELFDELVKKFKVEYHAGGSTQNSMKVAQWMIQEPHRAATFFGCIGIDKFGEILKSKAA
DAHVDAHYYEQNEQPTGTCAACITGGNRSLVANLAAANCYKKEKHLDLENNWMLVEKARV
YYIAGFFLTVSPESVLKVARYAAENNRTFTLNLSAPFISQFFKEALMEVMPYVDILFGNE
TEAATFAREQGFETKDIKEIARKTQALPKVNSKRQRTVIFTQGRDDTIVATGNDVTAFPV
LDQNQEEIVDTNGAGDAFVGGFLSQLVSNKPLTECIRAGHYAASVIIRRTGCTFPEKPDF
H
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| BDBM14494 |
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| BDBM14487 |
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| Name | BDBM14494 |
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| Synonyms: | 6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}-5-(3-phenylpropyl)pyrimidin-4-amine | CHEMBL338508 | alkynylpyrimidine 8 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H25N5O |
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| Mol. Mass. | 399.4882 |
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| SMILES | Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1ccccc1 |
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| Structure | 
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