Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50055100
Substrate
n/a
Meas. Tech.
ChEMBL_1447959 (CHEMBL3379785)
Ki
722±n/a nM
Citation
 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S 7-Amino-2-phenylpyrazolo[4,3-d]pyrimidine derivatives: structural investigations at the 5-position to target human A1 and A(2A) adenosine receptors. Molecular modeling and pharmacological studies. Eur J Med Chem 84:614-27 (2014) [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:
BDBM50055100
Synonyms:
CHEMBL3317580
Type:
Small organic molecule
Emp. Form.:
C20H19N5O
Mol. Mass.:
345.3978
SMILES:
Nc1nc(CCCc2ccc(O)cc2)nc2cn(nc12)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: