Reaction Details Report a problem with these data
Target
Adenosine receptor A2a/A2b
Ligand
BDBM50007839
Substrate
n/a
Meas. Tech.
ChEMBL_30561 (CHEMBL649873)
Ki
260±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:
BDBM50007839
Synonyms:
4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexanecarboxylic acid (2-dimethylamino-ethyl)-methyl-amide | 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexanecarboxylic acid (2-dimethylamino-ethyl)-methyl-amide(HCl.3/2H2O) | CHEMBL294869
Type:
Small organic molecule
Emp. Form.:
C23H38N6O3
Mol. Mass.:
446.5862
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)N(C)CCN(C)C |(5.29,-15.74,;5.29,-14.04,;6.74,-13.19,;6.74,-11.49,;8.22,-10.65,;9.84,-11.18,;10.83,-9.79,;9.84,-8.41,;8.22,-8.94,;6.74,-8.08,;6.74,-6.38,;5.28,-8.94,;3.79,-8.08,;3.79,-6.38,;2.31,-5.51,;5.28,-10.65,;3.77,-11.53,;12.37,-9.79,;13.13,-11.12,;14.67,-11.12,;15.43,-9.79,;14.67,-8.46,;13.13,-8.46,;16.97,-9.79,;17.74,-8.46,;17.74,-11.12,;16.97,-12.45,;19.27,-11.12,;20.04,-12.45,;21.57,-12.45,;22.34,-13.77,;22.34,-11.12,)|
Structure:
Search PDB for entries with ligand similarity: