Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50208807
Substrate
n/a
Meas. Tech.
ChEMBL_429487 (CHEMBL918609)
Ki
250±n/a nM
Citation
 Adachi, H; Palaniappan, KK; Ivanov, AA; Bergman, N; Gao, ZG; Jacobson, KA Structure-activity relationships of 2,N(6),5'-substituted adenosine derivatives with potent activity at the A2B adenosine receptor. J Med Chem 50:1810-27 (2007) [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:
BDBM50208807
Synonyms:
(2R,3S,4S,5R)-6-amino-5-ethylcarboxyamide-2-(3''-indolyl)-ethyloxy)-purin-9-yl)-tetrahydrofuran | (2S,3S,4R,5R)-5-(2-(2-(1H-indol-3-yl)ethoxy)-6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide | CHEMBL223845
Type:
Small organic molecule
Emp. Form.:
C22H25N7O5
Mol. Mass.:
467.4778
SMILES:
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(OCCc3c[nH]c4ccccc34)nc12
Structure:
Search PDB for entries with ligand similarity: