Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAdenosine receptor A2a
LigandBDBM52091
Substrate/Competitorn/a
Meas. Tech.ChEMBL_818419 (CHEMBL2034646)
Ki 1778.28±n/a nM
Citation Langmead, CJAndrews, SPCongreve, MErrey, JCHurrell, EMarshall, FHMason, JSRichardson, CMRobertson, NZhukov, AWeir, M Identification of novel adenosine A(2A) receptor antagonists by virtual screening. J Med Chem55:1904-9 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Adenosine receptor A2a
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:
MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAI
PFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTR
AKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYF
NFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVG
LFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFR
KIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNG
YALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM52091
n/a
NameBDBM52091
Synonyms:4-(4-hydroxy-2-methyl-5-propan-2-ylanilino)-5H-1,3-thiazol-2-one | 4-(4-hydroxy-2-methyl-5-propan-2-ylanilino)-5H-thiazol-2-one | 4-(4-hydroxy-5-isopropyl-2-methyl-anilino)-3-thiazolin-2-one | 4-[(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)amino]-5H-1,3-thiazol-2-one | CHEMBL1561889 | MLS000036332 | SMR000034713 | cid_659080
TypeSmall organic molecule
Emp. Form.C13H16N2O2S
Mol. Mass.264.343
SMILESCC(C)c1cc(Nc2csc(=O)[nH]2)c(C)cc1O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: