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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

NameCHEMBL162170
Molecular formulaC15H21NO2
IUPAC name(4aS,10bR)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
Molecular weight247.338
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
Synonyms1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-phenanthren-8-ol
1,3,4,4abeta,5,10balpha-Hexahydro-4-propyl-2H-[1]benzopyrano[3,4-b]pyridin-7-ol
BDBM50016884
UNII-OMX9W40D1U component BJMSUUATNLDQQZ-DGCLKSJQSA-N
Inchi KeyBJMSUUATNLDQQZ-DGCLKSJQSA-N
Inchi IDInChI=1S/C15H21NO2/c1-2-8-16-9-4-6-11-12-5-3-7-14(17)15(12)18-10-13(11)16/h3,5,7,11,13,17H,2,4,6,8-10H2,1H3/t11-,13-/m1/s1
PubChem CID14151647
ChEMBLCHEMBL162170
IUPHARN/A
BindingDB50016884
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5077.0 nMPMID2537429BindingDB
IC5077.0 nMPMID2537429ChEMBL

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