Reaction Details Report a problem with these data
Target
Adenosine receptor A2a/A2b
Ligand
BDBM50007836
Substrate
n/a
Meas. Tech.
ChEMBL_30561 (CHEMBL649873)
Ki
1000±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:
BDBM50007836
Synonyms:
CHEMBL56251 | N-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexyl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C19H29N5O3
Mol. Mass.:
375.4653
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)NC(C)=O |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;10.42,-11.71,;9.02,-11.71,;12.53,-10.5,;13.23,-9.29,;14.63,-9.29,;12.53,-8.06,)|
Structure:
Search PDB for entries with ligand similarity: