| Reaction Details |
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 | Report a problem with these data |
| Target | Adenosine receptor A2a/A2b |
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| Ligand | BDBM50007843 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_30561 (CHEMBL649873) |
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| Ki | >10000±n/a nM |
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| Citation |  Katsushima, T; Nieves, L; Wells, JN Structure-activity relationships of 8-cycloalkyl-1,3-dipropylxanthines as antagonists of adenosine receptors. J Med Chem33:1906-10 (1990) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Adenosine receptor A2a/A2b |
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| Name: | Adenosine receptor A2a/A2b |
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| Synonyms: | Adenosine A2 receptor |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 30560 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Adenosine receptor A2b |
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| Synonyms: | AA2BR_RAT | Adenosine receptor | Adora2b |
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| Type: | PROTEIN |
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| Mol. Mass.: | 36378.84 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_32934 |
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| Residue: | 332 |
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| Sequence: | MQLETQDALYVALELVIAALAVAGNVLVCAAVGASSALQTPTNYFLVSLATADVAVGLFA
IPFAITISLGFCTDFHSCLFLACFVLVLTQSSIFSLLAVAVDRYLAIRVPLRYKGLVTGT
RARGIIAVLWVLAFGIGLTPFLGWNSKDRATSNCTEPGDGITNKSCCPVKCLFENVVPMS
YMVYFNFFGCVLPPLLIMMVIYIKIFMVACKQLQHMELMEHSRTTLQREIHAAKSLAMIV
GIFALCWLPVHAINCITLFHPALAKDKPKWVMNVAILLSHANSVVNPIVYAYRNRDFRYS
FHRIISRYVLCQTDTKGGSGQAGGQSTFSLSL
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| Component 2 |
| Name: | Adenosine receptor A2a |
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| Synonyms: | AA2AR_RAT | ADENOSINE A2a | Adenosine A2 receptor | Adenosine A2a receptor (A2a) | Adenosine Receptors A2a (A2a) | Adenosine receptor A2a and A3 | Adenosine receptors A2a | Adora2a | Rat striatal adenosine A2a receptor |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 45015.65 |
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| Organism: | Rattus norvegicus (rat) |
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| Description: | Rat A2A receptors expressed in CHO cells. |
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| Residue: | 410 |
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| Sequence: | MGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFA
ITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKG
IIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAF
VLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALC
WLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRT
HVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGL
GGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS
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| BDBM50007843 |
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| n/a |
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| Name | BDBM50007843 |
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| Synonyms: | 8-(4-Amino-cyclohexyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione (CF3CO2H) | 8-(4-Amino-cyclohexyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione (HCl.1/2H2O) | CHEMBL58879 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H27N5O2 |
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| Mol. Mass. | 333.4286 |
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| SMILES | CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(N)CC1 |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;12.53,-10.5,;10.42,-11.71,;9.02,-11.71,)| |
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| Structure | 
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