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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

NameCHEMBL338723
Molecular formulaC17H19N5OS2
IUPAC name2-(4-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide
Molecular weight373.493
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.8
Synonyms2-[[1-Phenyl-4-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]pentanamide
2-(4-Methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylsulfanyl)-pentanoic acid amide
BDBM50053937
Inchi KeyAWVAXCYPDMVCFO-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19N5OS2/c1-3-7-13(14(18)23)25-17-20-15-12(16(21-17)24-2)10-19-22(15)11-8-5-4-6-9-11/h4-6,8-10,13H,3,7H2,1-2H3,(H2,18,23)
PubChem CID10761899
ChEMBLCHEMBL338723
IUPHARN/A
BindingDB50053937
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4380.0 nMPMID8863792BindingDB,ChEMBL

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