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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

NameCHEMBL310097
Molecular formulaC22H21ClN4
IUPAC name2-(3-chlorophenyl)-5,6-dimethyl-7-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine
Molecular weight376.888
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.3
Synonyms2-(3-Chloro-phenyl)-5,6-dimethyl-7-((S)-1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
BDBM50051677
2-(3-Chlorophenyl)-5,6-dimethyl-7-[(S)-alpha-methylbenzyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Inchi KeyAUONECWBDHODLJ-HNNXBMFYSA-N
Inchi IDInChI=1S/C22H21ClN4/c1-13-14(2)27(15(3)16-8-5-4-6-9-16)22-19(13)20(24)25-21(26-22)17-10-7-11-18(23)12-17/h4-12,15H,1-3H3,(H2,24,25,26)/t15-/m0/s1
PubChem CID10762114
ChEMBLCHEMBL310097
IUPHARN/A
BindingDB50051677
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki<30000.0 nMPMID8691445BindingDB,ChEMBL

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