Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM549549
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
IC50
3.70±n/a nM
Citation
 Pham, SM; Kankanala, J; Jadhavar, PS; Mulik, BM; Khan, F; Ramachandran, SA Heterocyclic compounds as adenosine antagonists US Patent  US11306071 Publication Date 4/19/2022 
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:
BDBM549549
Synonyms:
US11306071, Compound 124
Type:
Small organic molecule
Emp. Form.:
C24H19ClN10O
Mol. Mass.:
498.927
SMILES:
CC(NC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(nc1N)-c1ccn(C)n1)c1cccc(n1)C#N
Structure:
Search PDB for entries with ligand similarity: