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GPCR

NameAlpha-2B adrenergic receptor
SpeciesMus musculus (Mouse)
GeneAdra2b
Synonymalpha2B-adrenoceptor
alpha2B
alpha2-C2
alpha-2BAR
alpha-2B adrenoreceptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length450
Amino acid sequenceMVHQEPYSVQATAAIASAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFWRAWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQRPEPHGLPQCELNQEAWYILASSIGSFFAPCLIMILVYLRIYVIAKRSHCRGLGAKRGSGEGESKKPRPGPAAGGVPASAKVPTLVSPLSSVGEANGHPKPPREKEEGETPEDPEARALPPNWSALPRSVQDQKKGTSGATAEKGAEEDEEEVEECEPQTLPASPASVFNPPLQQPQTSRVLATLRGQVLLSKNVGVASGQWWRRRTQLSREKRFTFVLAVVIGVFVVCWFPFFFSYSLGAICPQHCKVPHGLFQFFFWIGYCNSSLNPVIYTIFNQDFRRAFRRILCRQWTQTGW
UniProtP30545
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2405
IUPHARN/A
DrugBankN/A

Ligand

Nameduloxetine
Molecular formulaC18H19NOS
IUPAC name(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
Molecular weight297.416
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.3
Synonyms(+)-(S)-N-Methyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamin
(+)-(S)-N-Methyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamine monohydrochloride
(3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine
(3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine
(3s)-N-Methyl-3-(Naphthalen-1-Yloxy)-3-(Thiophen-2-Yl)propan-1-Amine
[ Show all ]
Inchi KeyZEUITGRIYCTCEM-KRWDZBQOSA-N
Inchi IDInChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
PubChem CID60835
ChEMBLCHEMBL1175
IUPHAR202
BindingDB84745
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1000.0 nMPMID11750180BindingDB

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