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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

NameCHEMBL2113492
Molecular formulaC15H22N6O4
IUPAC name(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-pentyloxolane-2-carboxamide
Molecular weight350.379
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP0.7
SynonymsBDBM50409304
5'-Oxo-5'-(pentylamino)-5'-deoxyadenosine
Inchi KeyHPUURONQWKICJL-BQVMBELUSA-N
Inchi IDInChI=1S/C15H22N6O4/c1-2-3-4-5-17-14(24)11-9(22)10(23)15(25-11)21-7-20-8-12(16)18-6-19-13(8)21/h6-7,9-11,15,22-23H,2-5H2,1H3,(H,17,24)(H2,16,18,19)/t9-,10+,11-,15+/m0/s1
PubChem CID10089226
ChEMBLCHEMBL2113492
IUPHARN/A
BindingDB50409304
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki605.0 nMPMID11170630ChEMBL

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