Reaction Details
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Target
Adenosine receptor A2a
Ligand
BDBM50205575
Substrate
n/a
Meas. Tech.
ChEMBL_435758 (CHEMBL904112)
Ki
>1000±n/a nM
Citation
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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:
BDBM50205575
Synonyms:
(2S,3S,4R,5R)-5-(2-chloro-6-(4-(2-(4-methoxyphenylamino)-2-oxoethoxy)phenylamino)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide | 1-deoxy-1-[2-chloro-6-{4-[(4-methoxy-phenylcarbamoyl)-methoxy]-phenylamino}-9H-purin-9-yl]-N-ethyl-beta-D-ribofuranuronamide | CHEMBL226305
Type:
Small organic molecule
Emp. Form.:
C27H28ClN7O7
Mol. Mass.:
598.007
SMILES:
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)nc(Cl)nc12