| Reaction Details |
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 | Report a problem with these data |
| Target | Adenosine receptor A2a |
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| Ligand | BDBM6643 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_859655 (CHEMBL2168892) |
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| Ki | 31000±n/a nM |
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| Citation |  van Westen, GJ; van den Hoven, OO; van der Pijl, R; Mulder-Krieger, T; de Vries, H; Wegner, JK; Ijzerman, AP; van Vlijmen, HW; Bender, A Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data. J Med Chem55:7010-20 (2012) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Adenosine receptor A2a |
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| Name: | Adenosine receptor A2a |
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| Synonyms: | A2A adenosine receptor (hA2A) | AA2AR_HUMAN | ADENOSINE A2 | ADENOSINE A2a | ADORA2 | ADORA2A | Adenosine A2A receptor (A2AAR) |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 44716.46 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P29274 |
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| Residue: | 412 |
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| Sequence: | MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAI
PFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTR
AKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYF
NFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVG
LFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFR
KIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNG
YALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
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| BDBM6643 |
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| n/a |
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| Name | BDBM6643 |
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| Synonyms: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-6-methoxypyridine-3,5-dicarbonitrile | 4-Aryl-2-aminopyridine deriv. 10 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H10N4O3 |
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| Mol. Mass. | 294.2649 |
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| SMILES | COc1nc(N)c(C#N)c(-c2ccc3OCOc3c2)c1C#N |
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| Structure | 
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