Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50080292
Substrate
n/a
Meas. Tech.
ChEMBL_30758 (CHEMBL649789)
Ki
754±n/a nM
Citation
 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Selective A1-adenosine receptor antagonists identified using yeast Saccharomyces cerevisiae functional assays. Bioorg Med Chem Lett 9:2413-8 (1999) [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:
BDBM50080292
Synonyms:
4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-cyclohexanol | CHEMBL78595
Type:
Small organic molecule
Emp. Form.:
C20H24N4O
Mol. Mass.:
336.4308
SMILES:
Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 |wU:9.8,wD:12.12,(7.76,-9.44,;6.22,-9.46,;5.3,-10.73,;3.85,-10.24,;2.5,-11.04,;1.17,-10.27,;1.17,-8.73,;2.5,-7.93,;2.48,-6.39,;1.15,-5.65,;-.16,-6.42,;-1.5,-5.65,;-1.5,-4.11,;-2.84,-3.34,;-.16,-3.34,;1.17,-4.09,;3.83,-8.7,;5.3,-8.22,;5.75,-6.75,;-.16,-11.04,;-.15,-12.55,;-1.5,-13.32,;-2.82,-12.55,;-2.82,-11.01,;-1.5,-10.24,)|
Structure:
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