Reaction Details  Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50545321
Substrate
n/a
Meas. Tech.
ChEMBL_1994848 (CHEMBL4628743)
Ki
639±n/a nM
Citation
 Varano, F; Catarzi, D; Vincenzi, F; Pasquini, S; Pelletier, J; Lopes Rangel Fietto, J; Espindola Gelsleichter, N; Sarlandie, M; Guilbaud, A; Sévigny, J; Varani, K; Colotta, V Structural investigation on thiazolo[5,4-d]pyrimidines to obtain dual-acting blockers of CD73 and adenosine A Bioorg Med Chem Lett 30:0 (2020) [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:
BDBM50545321
Synonyms:
CHEMBL4634083
Type:
Small organic molecule
Emp. Form.:
C25H25N7O5S2
Mol. Mass.:
567.64
SMILES:
Nc1nc(nc2sc(nc12)-c1ccco1)N1CCC(CNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)CC1
Structure:
Search PDB for entries with ligand similarity: