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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

NameCHEMBL27502
Molecular formulaC17H23N5O2
IUPAC name(1R,2S,4S,5S)-4-[6-(cyclopentylamino)purin-9-yl]-1-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol
Molecular weight329.404
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.5
SynonymsBDBM50100422
N-Cyclopentyl-9-[(1beta)-4alpha-hydroxy-5beta-(hydroxymethyl)bicyclo[3.1.0]hexane-2beta-yl]-9H-purine-6-amine
(1R,2S,4S,5S)-4-(6-Cyclopentylamino-purin-9-yl)-1-hydroxymethyl-bicyclo[3.1.0]hexan-2-ol
Inchi KeyAKUOJWDGUSDCKF-XREXNNHRSA-N
Inchi IDInChI=1S/C17H23N5O2/c23-7-17-6-11(17)12(5-13(17)24)22-9-20-14-15(18-8-19-16(14)22)21-10-3-1-2-4-10/h8-13,23-24H,1-7H2,(H,18,19,21)/t11-,12+,13+,17+/m1/s1
PubChem CID44276002
ChEMBLCHEMBL27502
IUPHARN/A
BindingDB50100422
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Displacement15.0 %PMID11392549ChEMBL

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