Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50152234
Substrate
n/a
Meas. Tech.
ChEMBL_1923341 (CHEMBL4426297)
Ki
0.330000±n/a nM
Citation
Segala, E; Guo, D; Cheng, RK; Bortolato, A; Deflorian, F; Doré, AS; Errey, JC; Heitman, LH; IJzerman, AP; Marshall, FH; Cooke, RM Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength. J Med Chem 59:6470-9 (2016) [PubMed] Article
More Info.:
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:
BDBM50152234
Synonyms:
CHEMBL184061 | N*5*-{2-[4-(2,4-Difluoro-phenyl)-piperazin-1-yl]-ethyl}-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
Type:
Small organic molecule
Emp. Form.:
C20H21F2N9O
Mol. Mass.:
441.4372
SMILES:
Nc1nc(NCCN2CCN(CC2)c2ccc(F)cc2F)nc2nc(nn12)-c1ccco1