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GPCR

NameAlpha-2B adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRA2B
Synonymalpha2-C2
alpha2B
alpha2B-adrenoceptor
Alpha-2BAR
alpha-2B adrenoreceptor
[ Show all ]
DiseaseNeuropathic pain
Alcohol use disorders
Length450
Amino acid sequenceMDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAKRSNRRGPRAKGGPGQGESKQPRPDHGGALASAKLPALASVASAREVNGHSKSTGEKEEGETPEDTGTRALPPSWAALPNSGQGQKEGVCGASPEDEAEEEEEEEEEEEECEPQAVPVSPASACSPPLQQPQGSRVLATLRGQVLLGRGVGAIGGQWWRRRAQLTREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPKHCKVPHGLFQFFFWIGYCNSSLNPVIYTIFNQDFRRAFRRILCRPWTQTAW
UniProtP18089
Protein Data BankN/A
GPCR-HGmod modelP18089
3D structure modelThis predicted structure model is from GPCR-EXP P18089.
BioLiPN/A
Therapeutic Target DatabaseT41580
ChEMBLCHEMBL1942
IUPHAR26
DrugBankBE0000572

Ligand

NameCHEMBL492639
Molecular formulaC14H19N3O2
IUPAC name(E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine
Molecular weight261.325
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.7
SynonymsBDBM50412247
Inchi KeyBVWLLEDYRCHASI-LICLKQGHSA-N
Inchi IDInChI=1S/C14H19N3O2/c1-3-18-17-10-12-6-4-5-7-13(12)19-11(2)14-15-8-9-16-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,15,16)/b17-10+
PubChem CID24906196
ChEMBLCHEMBL492639
IUPHARN/A
BindingDB50412247
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki446.68 nMPMID18578476ChEMBL
Ki447.0 nMPMID18578476BindingDB

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