Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50306788
Substrate
n/a
Meas. Tech.
ChEMBL_611932 (CHEMBL1071493)
Ki
2200±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:
BDBM50306788
Synonyms:
3-Amino-6-methyl-5,6,7,8-tetrahydro-thieno[2,3-b:4,5-c']dipyridine-2-carboxylic acid(4-fluoro-phenyl)-amide | CHEMBL598725
Type:
Small organic molecule
Emp. Form.:
C18H17FN4OS
Mol. Mass.:
356.417
SMILES:
CN1CCc2sc3nc(C(=O)Nc4ccc(F)cc4)c(N)cc3c2C1
Structure:
Search PDB for entries with ligand similarity: