Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50306751
Substrate
n/a
Meas. Tech.
ChEMBL_611932 (CHEMBL1071493)
Ki
25000±n/a nM
Citation
 Katritch, V; Jaakola, VP; Lane, JR; Lin, J; Ijzerman, AP; Yeager, M; Kufareva, I; Stevens, RC; Abagyan, R Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists. J Med Chem 53:1799-809 (2010) [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:
BDBM50306751
Synonyms:
6-amino-1-cyclopropyl-5-(2-(1-(4-methoxyphenyl)-1H-imidazol-2-ylthio)acetyl)pyrimidine-2,4(1H,3H)-dione | CHEMBL606031
Type:
Small organic molecule
Emp. Form.:
C19H19N5O4S
Mol. Mass.:
413.45
SMILES:
COc1ccc(cc1)-n1ccnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O
Structure:
Search PDB for entries with ligand similarity: