Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50309786
Substrate
n/a
Meas. Tech.
ChEMBL_610881 (CHEMBL1065036)
Ki
4730±n/a nM
Citation
 Tosh, DK; Chinn, M; Yoo, LS; Kang, DW; Luecke, H; Gao, ZG; Jacobson, KA 2-Dialkynyl derivatives of (N)-methanocarba nucleosides: 'Clickable' A(3) adenosine receptor-selective agonists. Bioorg Med Chem 18:508-17 (2010) [PubMed]  Article 
Target
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:
MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
  
Inhibitor
Name:
BDBM50309786
Synonyms:
1-(6-(2-(5-(6-(3-chlorobenzylamino)-9-((1S,2R,3S,4R,5S)-3,4-dihydroxy-5-(methylcarbamoyl)bicyclo[3.1.0]hexan-2-yl)-9H-purin-2-yl)pent-4-ynamido)ethylamino)-6-oxohexyl)-2-(5-(1-ethyl-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dienyl)-3,3-dimethyl-3H-indolium-5-sulfonate | CHEMBL589401
Type:
Small organic molecule
Emp. Form.:
C60H69ClN10O11S2
Mol. Mass.:
1205.833
SMILES:
CCN1\C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCNC(=O)CCC#Cc3nc(NCc4cccc(Cl)c4)c4ncn([C@@H]5[C@H]6C[C@]6([C@@H](O)[C@H]5O)C(=O)NC)c4n3)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(C)c2cc(ccc12)S(O)(=O)=O |r,c:9|
Structure:
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