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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

Namevenlafaxine
Molecular formulaC17H27NO2
IUPAC name1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
Molecular weight277.408
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
SynonymsLS-57095
1-(2-(dimethylamino)-1-(4-methoxyphenyl)ethyl)cyclohexanol
NCGC00095109-02
93413-69-5
NSC_62923
[ Show all ]
Inchi KeyPNVNVHUZROJLTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
PubChem CID5656
ChEMBLCHEMBL637
IUPHARN/A
BindingDB82071
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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