Target
Adenosine receptor A2a
Ligand
BDBM50177307
Substrate
n/a
Meas. Tech.
ChEMBL_535301 (CHEMBL982626)
Ki
>10000±n/a nM
Citation
 Melman, AWang, BJoshi, BVGao, ZGCastro, SHeller, CLKim, SKJeong, LSJacobson, KA Selective A(3) adenosine receptor antagonists derived from nucleosides containing a bicyclo[3.1.0]hexane ring system. Bioorg Med Chem 16:8546-56 (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:
Human
Description:
P29274
Residue:
412
Sequence:
MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
  
Inhibitor
Name:
BDBM50177307
Synonyms:
(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N,N-dimethyl-tetrahydrofuran-2-carboxamide | (2S,3S,4R,5R)-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxylic aciddimethylamide | CHEMBL373065
Type:
Small organic molecule
Emp. Form.:
C19H20ClIN6O4
Mol. Mass.:
558.76
SMILES:
CN(C)C(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O
Structure:
Search PDB for entries with ligand similarity: