Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50088245
Substrate
n/a
Meas. Tech.
ChEMBL_30014 (CHEMBL641305)
Ki
6.3±n/a nM
Citation
 Wintner, EA; Moallemi, CC Quantized surface complementarity diversity (QSCD): a model based on small molecule-target complementarity. J Med Chem 43:1993-2006 (2000) [PubMed]  Article 
Target
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:
BDBM50088245
Synonyms:
4-[6-Amino-2-(4-formyl-phenylethynyl)-purin-9-yl]-2,3-dimethoxy-cyclopentanecarboxylic acid ethylamide
Type:
Small organic molecule
Emp. Form.:
C24H26N6O4
Mol. Mass.:
462.501
SMILES:
CCNC(=O)[C@H]1CC([C@H](OC)[C@@H]1OC)n1cnc2c(N)nc(nc12)C#Cc1ccc(C=O)cc1
Structure:
Search PDB for entries with ligand similarity: