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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

NameDesvenlafaxine
Molecular formulaC16H25NO2
IUPAC name4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
Molecular weight263.381
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.6
SynonymsDesvenlafaxine, 97%
HSDB 7993
KYYIDSXMWOZKMP-UHFFFAOYSA-N
O-desmethyl-venlafaxine
ODV
[ Show all ]
Inchi KeyKYYIDSXMWOZKMP-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
PubChem CID125017
ChEMBLCHEMBL1118
IUPHARN/A
BindingDB86748
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID16675639BindingDB

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