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GPCR

NameAdenosine receptor A2b
SpeciesBos taurus (Bovine)
GeneADORA2B
SynonymN/A
DiseaseN/A for non-human GPCRs
Length332
Amino acid sequenceMPLEAQDAVYVALELALAALSVTGNVLVCAAVGTSSALQTPTNYFLVSLAAADVAVGLFAIPFAVTISLGFCTDFHSCLFLACFVLVLTQSSIFSLLAVAVDRYLAVRVPLRYKSLVTGARARGVIAALWVLAFGIGLTPFLGWNDRKIATNCTEPGDAATNVSCCLIRCLFENVVPMSYMVYFNFFGCVLPPLLIMLVIYVKIFLVACRQLQRTELMDHSRTVLQREIHAAKSLALIVGIFALCWLPVHTINCASLFQPTWAKVKPKWAINTAILLSHANSAVNPIVYAYRNRDFRYTFHKIISRYILCRTHILKSGEGQVGSQPTLQLGL
UniProtQ1LZD0
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
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
SynonymsHSDB 7368
LY248686
NCGC00164559-01
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-yl-propan-1-amine
RL00632
[ 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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