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GPCR

NameAdenosine receptor A2a
SpeciesRattus norvegicus (Rat)
GeneAdora2a
SynonymA2-AR
A2A receptor
adenosine receptor A2a
RDC8
DiseaseN/A for non-human GPCRs
Length410
Amino acid sequenceMGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKGIIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAFVLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRTHVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGLGGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS
UniProtP30543
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL302
IUPHAR19
DrugBankN/A

Ligand

NamePyrimidin-4-ylacetamide, 9
Molecular formulaC20H24N6O3
IUPAC nameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide
Molecular weight396.451
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.7
SynonymsCHEMBL261176
SCHEMBL1489666
BDBM21198
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide
Inchi KeyABOTXPKVARXPFD-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24N6O3/c1-13-10-14(2)26(24-13)18-11-17(21-19(27)12-25-6-8-28-9-7-25)22-20(23-18)16-5-4-15(3)29-16/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,22,23,27)
PubChem CID24768420
ChEMBLCHEMBL261176
IUPHARN/A
BindingDB21198
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki430.0 nMPMID18307293BindingDB,ChEMBL

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