Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM21216
Substrate
BDBM21241
Meas. Tech.
Human A1 Adenosine Receptor Binding Assay
Ki
3440±n/a nM
Citation
 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Derivatives of 4-Amino-6-hydroxy-2-mercaptopyrimidine as Novel, Potent, and Selective A3 Adenosine Receptor Antagonists. J Med Chem 51:1764-70 (2008) [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:
BDBM21216
Synonyms:
2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quinoxaline | 2-[4-(ethylsulfanyl)-1H-benzimidazol-2-yl]quinoxaline | CHEMBL198008 | benzimidazole-quinoxaline, C2
Type:
Small organic molecule
Emp. Form.:
C17H14N4S
Mol. Mass.:
306.385
SMILES:
CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM21241
Synonyms:
Adenosine, N6-Ethyl-carboxamido | Adenosine-5 -(N-ethylcarboxamide) | N-Ethylcarboxamidoadenosine | [3H]NECA
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: