Reaction Details |
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Target | Adenosine receptor A2a |
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Ligand | BDBM52091 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_818419 (CHEMBL2034646) |
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Ki | 1778.28±n/a nM |
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Citation | Langmead, CJ; Andrews, SP; Congreve, M; Errey, JC; Hurrell, E; Marshall, FH; Mason, JS; Richardson, CM; Robertson, N; Zhukov, A; Weir, M Identification of novel adenosine A(2A) receptor antagonists by virtual screening. J Med Chem55:1904-9 (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 |
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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BDBM52091 |
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n/a |
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Name | BDBM52091 |
Synonyms: | 4-(4-hydroxy-2-methyl-5-propan-2-ylanilino)-5H-1,3-thiazol-2-one | 4-(4-hydroxy-2-methyl-5-propan-2-ylanilino)-5H-thiazol-2-one | 4-(4-hydroxy-5-isopropyl-2-methyl-anilino)-3-thiazolin-2-one | 4-[(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)amino]-5H-1,3-thiazol-2-one | CHEMBL1561889 | MLS000036332 | SMR000034713 | cid_659080 |
Type | Small organic molecule |
Emp. Form. | C13H16N2O2S |
Mol. Mass. | 264.343 |
SMILES | CC(C)c1cc(Nc2csc(=O)[nH]2)c(C)cc1O |
Structure |
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