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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

NameCHEMBL142962
Molecular formulaC20H20N4O
IUPAC name2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine
Molecular weight332.407
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.8
Synonyms2-(2-Furyl)-5,6-dimethyl-7-[(R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidine-4-amine
BDBM50094599
2-Furan-2-yl-5,6-dimethyl-7-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
Inchi KeyATJYGASFPFEOJQ-CQSZACIVSA-N
Inchi IDInChI=1S/C20H20N4O/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1
PubChem CID10592691
ChEMBLCHEMBL142962
IUPHARN/A
BindingDB50094599
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki490.0 nMPMID11101355ChEMBL
Ki490.0 nMPMID11101355BindingDB

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