Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50235056
Substrate
n/a
Meas. Tech.
ChEMBL_1654437 (CHEMBL4003803)
Ki
5.4±n/a nM
Citation
 Basu, S; Barawkar, DA; Thorat, S; Shejul, YD; Patel, M; Naykodi, M; Jain, V; Salve, Y; Prasad, V; Chaudhary, S; Ghosh, I; Bhat, G; Quraishi, A; Patil, H; Ansari, S; Menon, S; Unadkat, V; Thakare, R; Seervi, MS; Meru, AV; De, S; Bhamidipati, RK; Rouduri, SR; Palle, VP; Chug, A; Mookhtiar, KA Design, Synthesis of Novel, Potent, Selective, Orally Bioavailable Adenosine A J Med Chem 60:681-694 (2017) [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:
BDBM50235056
Synonyms:
CHEMBL4078896
Type:
Small organic molecule
Emp. Form.:
C23H27N3O4S
Mol. Mass.:
441.543
SMILES:
COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(C)cc3)nc12
Structure:
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