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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

NameN-Methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine
Molecular formulaC17H21NO
IUPAC nameN-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
Molecular weight255.361
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.7
SynonymsTox21_501202
(S)-Tomoxetine
BDBM50022784
EU-0101202
Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine
[ Show all ]
Inchi KeyVHGCDTVCOLNTBX-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
PubChem CID6850813
ChEMBLCHEMBL299052
IUPHARN/A
BindingDB50022784
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1000.0 nMPMID12431845BindingDB

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