Reaction Details |
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Target | Adenosine receptor A2a/A2b |
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Ligand | BDBM50180054 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_329906 (CHEMBL869443) |
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Ki | >10000±n/a nM |
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Citation | Kumar, JS; Majo, VJ; Hsiung, SC; Millak, MS; Liu, KP; Tamir, H; Prabhakaran, J; Simpson, NR; Van Heertum, RL; Mann, JJ; Parsey, RV Synthesis and in vivo validation of [O-methyl-11C]2-{4-[4-(7-methoxynaphthalen-1-yl)piperazin- 1-yl]butyl}-4-methyl-2H-[1,2,4]triazine-3,5-dione: a novel 5-HT1A receptor agonist positron emission tomography ligand. J Med Chem49:125-34 (2006) [PubMed] Article |
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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 |
Synonyms: | Adenosine A2 receptor |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 329906 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Adenosine receptor A2b |
Synonyms: | AA2BR_HUMAN | ADENOSINE A2B | ADORA2B | Adenosine receptor A2B (A2B) | Adenosine receptors A2b | Adenosine receptors; A2a & A2b |
Type: | G Protein-Coupled Receptor (GPCR) |
Mol. Mass.: | 36341.22 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 332 |
Sequence: | MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFA
IPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGT
RARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMS
YMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIV
GIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYT
FHKIISRYLLCQADVKSGNGQAGVQPALGVGL
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Component 2 |
Name: | Adenosine receptor A2a |
Synonyms: | A2A adenosine receptor (hA2A) | AA2AR_HUMAN | ADENOSINE A2 | ADENOSINE A2a | ADORA2 | ADORA2A | Adenosine A2A receptor (A2AAR) |
Type: | G Protein-Coupled Receptor (GPCR) |
Mol. Mass.: | 44716.46 |
Organism: | Homo sapiens (Human) |
Description: | P29274 |
Residue: | 412 |
Sequence: | MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAI
PFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTR
AKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYF
NFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVG
LFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFR
KIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNG
YALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
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BDBM50180054 |
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n/a |
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Name | BDBM50180054 |
Synonyms: | CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]butyl}-4-methyl-2H-[1,2,4]triazine-3,5-dione |
Type | Small organic molecule |
Emp. Form. | C23H29N5O3 |
Mol. Mass. | 423.5081 |
SMILES | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 |
Structure |
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