Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50306760
Substrate
n/a
Meas. Tech.
ChEMBL_611932 (CHEMBL1071493)
Ki
6100±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:
BDBM50306760
Synonyms:
2-(4-amino-5-cyanopyrimidin-2-ylthio)-N-(3-cyano-3a,4,5,6,7,7a-hexahydrobenzo[b]thiophen-2-yl)acetamide | CHEMBL602076
Type:
Small organic molecule
Emp. Form.:
C16H16N6OS2
Mol. Mass.:
372.468
SMILES:
Nc1nc(SCC(=O)NC2=C(C#N)C3CCCCC3S2)ncc1C#N |c:9|
Structure:
Search PDB for entries with ligand similarity: