Reaction Details Report a problem with these data
Target
Adenosine receptor A2a/A2b
Ligand
BDBM50007855
Substrate
n/a
Meas. Tech.
ChEMBL_30561 (CHEMBL649873)
Ki
370±n/a nM
Citation
 Katsushima, T; Nieves, L; Wells, JN Structure-activity relationships of 8-cycloalkyl-1,3-dipropylxanthines as antagonists of adenosine receptors. J Med Chem 33:1906-10 (1990) [PubMed]  Article 
Target
Name:
Adenosine receptor A2a/A2b
Synonyms:
Adenosine A2 receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 30560
Components:
This complex has 2 components.
Component 1
Name:
Adenosine receptor A2b
Synonyms:
AA2BR_RAT | Adenosine receptor | Adora2b
Type:
PROTEIN
Mol. Mass.:
36378.84
Organism:
Rattus norvegicus
Description:
ChEMBL_32934
Residue:
332
Sequence:
MQLETQDALYVALELVIAALAVAGNVLVCAAVGASSALQTPTNYFLVSLATADVAVGLFAIPFAITISLGFCTDFHSCLFLACFVLVLTQSSIFSLLAVAVDRYLAIRVPLRYKGLVTGTRARGIIAVLWVLAFGIGLTPFLGWNSKDRATSNCTEPGDGITNKSCCPVKCLFENVVPMSYMVYFNFFGCVLPPLLIMMVIYIKIFMVACKQLQHMELMEHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAINCITLFHPALAKDKPKWVMNVAILLSHANSVVNPIVYAYRNRDFRYSFHRIISRYVLCQTDTKGGSGQAGGQSTFSLSL
  
Component 2
Name:
Adenosine receptor A2a
Synonyms:
AA2AR_RAT | ADENOSINE A2a | Adenosine A2 receptor | Adenosine A2a receptor (A2a) | Adenosine Receptors A2a (A2a) | Adenosine receptor A2a and A3 | Adenosine receptors A2a | Adora2a | Rat striatal adenosine A2a receptor
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
45015.65
Organism:
Rattus norvegicus (rat)
Description:
Rat A2A receptors expressed in CHO cells.
Residue:
410
Sequence:
MGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKGIIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAFVLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRTHVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGLGGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS
  
Inhibitor
Name:
BDBM50007855
Synonyms:
8-(4-Aminomethyl-cyclohexyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione (HCl.1/2EtOH) | CHEMBL56409
Type:
Small organic molecule
Emp. Form.:
C18H29N5O2
Mol. Mass.:
347.4552
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CN)CC1 |(4.82,-14.36,;4.82,-12.81,;6.15,-12.03,;6.15,-10.48,;7.5,-9.72,;8.98,-10.2,;9.88,-8.93,;8.98,-7.67,;7.5,-8.15,;6.15,-7.37,;6.15,-5.82,;4.82,-8.15,;3.46,-7.37,;3.46,-5.82,;2.11,-5.03,;4.82,-9.72,;3.44,-10.52,;11.28,-8.93,;11.98,-10.15,;13.38,-10.15,;14.08,-8.93,;15.48,-8.93,;16.18,-10.15,;13.38,-7.72,;11.98,-7.72,)|
Structure:
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