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GPCR

NameAlpha-2A adrenergic receptor
SpeciesRattus norvegicus (Rat)
GeneAdra2a
Synonymalpha2A-adrenergic receptor
Alpha-2A adrenoceptor
Adrenergic alpha 2A receptor
Alpha-2A adrenoreceptor
CA2-47
[ Show all ]
DiseaseN/A for non-human GPCRs
Length450
Amino acid sequenceMGSLQPDAGNSSWNGTEAPGGGTRATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKVWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISIEKKGAGGGQQPAEPSCKINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDACSAPPGGADRRPNGLGPERGAGTAGAEAEPLPTQLNGAPGEPAPTRPRDGDALDLEESSSSEHAERPQGPGKPERGPRAKGKTKASQVKPGDSLPRRGPGAAGPGASGSGQGEERAGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLIAVGCPVPYQLFNFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProtP22909
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL327
IUPHARN/A
DrugBankN/A

Ligand

NameWB-4101
Molecular formulaC19H23NO5
IUPAC nameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
Molecular weight345.395
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.9
SynonymsWB4101
WB 4101
(2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane
(2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzodioxan
613-67-2
[ Show all ]
Inchi KeyGYSZUJHYXCZAKI-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3
PubChem CID5685
ChEMBLCHEMBL25554
IUPHAR499
BindingDB69602
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd257.04 nMPMID17125266ChEMBL
Ki46.0 nMPMID7658428BindingDB,ChEMBL

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