Reaction Details
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Adenosine receptor A2a
Ligand
BDBM50457107
Substrate
n/a
Meas. Tech.
ChEMBL_1758721 (CHEMBL4193729)
Ki
0.400000±n/a nM
Citation
Basu, S; Barawkar, DA; Ramdas, V; Naykodi, M; Shejul, YD; Patel, M; Thorat, S; Panmand, A; Kashinath, K; Bonagiri, R; Prasad, V; Bhat, G; Quraishi, A; Chaudhary, S; Magdum, A; Meru, AV; Ghosh, I; Bhamidipati, RK; Raje, AA; Madgula, VLM; De, S; Rouduri, SR; Palle, VP; Chugh, A; Hariharan, N; Mookhtiar, KA Discovery of Potent and Selective A ACS Med Chem Lett 8:835-840 (2017) [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:
Homo sapiens (Human)
Description:
P29274
Residue:
412
Sequence:
MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
Inhibitor
Name:
BDBM50457107
Synonyms:
CHEMBL4209408
Type:
Small organic molecule
Emp. Form.:
C27H33N9O4
Mol. Mass.:
547.6088
SMILES:
COCC(C)Oc1ccc(cc1)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1
Structure:
