Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM618749
Substrate
n/a
Meas. Tech.
Adenosine Receptor Time-Resolved Fluorescence Resonance Energy Transfer (TRFRET) Binding Assay
Ki
0.100±n/a nM
Citation
 McCarthy, C; Moulton, B; Walker, ER; McMahon, PS ANTAGONIST COMPOUNDS US Patent  US20230293517 Publication Date 9/21/2023 
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:
BDBM618749
Synonyms:
US20230293517, Example 4.27
Type:
Small organic molecule
Emp. Form.:
C22H21N5O3S2
Mol. Mass.:
467.564
SMILES:
Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCS(=O)(=O)CC2)nc1-c1cccc(c1)C#N
Structure:
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