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GPCR

NameAlpha-2A adrenergic receptor
SpeciesBos taurus (Bovine)
GeneADRA2A
SynonymAlpha-2A adrenoceptor
Alpha-2A adrenoreceptor
Alpha-2AAR
Alpha-2D adrenergic receptor
DiseaseN/A for non-human GPCRs
Length452
Amino acid sequenceMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISFEKKRGRSGQPSAEPRCEINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDATAAELPGSAERRPNGLGPERGGVGPVGAEVESLQVQLNGAPGEPAPAGAGADALDLEESSSSEHAERPPGSRRSERGPRAKGKARASQVKPGDSLPRRGPGATGLGAPTAGPAEERSGGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAIGCPVPPTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProtQ28838
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4744
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL422024
Molecular formulaC14H19NO2
IUPAC name(4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
Molecular weight233.311
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.3
SynonymsBDBM50016886
1,5-Dimethyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-phenanthren-8-ol
Inchi KeyLJXJXZFDHJGEBQ-WDEREUQCSA-N
Inchi IDInChI=1S/C14H19NO2/c1-9-5-6-12(16)14-13(9)10-4-3-7-15(2)11(10)8-17-14/h5-6,10-11,16H,3-4,7-8H2,1-2H3/t10-,11+/m0/s1
PubChem CID14450375
ChEMBLCHEMBL422024
IUPHARN/A
BindingDB50016886
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501020.0 nMPMID2537429BindingDB,ChEMBL

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