| Reaction Details |
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 | Report a problem with these data |
| Target | Adenosine receptor A2a/A2b |
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| Ligand | BDBM50207816 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_30716 (CHEMBL646483) |
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| Ki | 21±n/a nM |
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| Citation |  Suzuki, F; Shimada, J; Mizumoto, H; Karasawa, A; Kubo, K; Nonaka, H; Ishii, A; Kawakita, T Adenosine A1 antagonists. 2. Structure-activity relationships on diuretic activities and protective effects against acute renal failure. J Med Chem35:3066-75 (1992) [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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| BDBM50207816 |
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| n/a |
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| Name | BDBM50207816 |
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| Synonyms: | CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (xanthine amine congenere, XAC) | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(XAC) | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide | N-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide | XAC |
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| Type | Small organic molecule |
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| Emp. Form. | C21H28N6O4 |
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| Mol. Mass. | 428.4848 |
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| SMILES | CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 |
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| Structure | 
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