Reaction Details |
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Target | Adenosine receptor A2a |
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Ligand | BDBM50106535 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_31359 (CHEMBL644651) |
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Ki | 18±n/a nM |
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Citation | Kim, SK; Gao, ZG; Van Rompaey, P; Gross, AS; Chen, A; Van Calenbergh, S; Jacobson, KA Modeling the adenosine receptors: comparison of the binding domains of A2A agonists and antagonists. J Med Chem46:4847-59 (2003) [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 |
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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BDBM50106535 |
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n/a |
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Name | BDBM50106535 |
Synonyms: | (2R,3R,4S,5S)-4-Amino-5-hydroxymethyl-2-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3-ol | 4-Amino-5-hydroxymethyl-2-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3-ol | CHEMBL132629 |
Type | Small organic molecule |
Emp. Form. | C17H19IN6O3 |
Mol. Mass. | 482.2756 |
SMILES | N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |
Structure |
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