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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

NameCHEMBL368092
Molecular formulaC18H21N9O2
IUPAC name2-(furan-2-yl)-5-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
Molecular weight395.427
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP1.6
Synonyms2-Furan-2-yl-N*5*-[1-(5-methyl-isoxazol-3-ylmethyl)-piperidin-4-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
BDBM50163418
SCHEMBL5418348
Inchi KeyACTNRWABPDYOKF-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21N9O2/c1-11-9-13(25-29-11)10-26-6-4-12(5-7-26)20-17-22-16(19)27-18(23-17)21-15(24-27)14-3-2-8-28-14/h2-3,8-9,12H,4-7,10H2,1H3,(H3,19,20,21,22,23,24)
PubChem CID11383873
ChEMBLCHEMBL368092
IUPHARN/A
BindingDB50163418
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki270.0 nMPMID15771443BindingDB,ChEMBL

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