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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

NameCHEMBL2432060
Molecular formulaC21H26FN
IUPAC name(8S)-N-[3-(3-fluorophenyl)propyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
Molecular weight311.444
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.8
SynonymsN/A
Inchi KeyCKFQOWSPJPMWEK-IINHSQADSA-N
Inchi IDInChI=1S/C21H26FN/c1-23(7-3-5-11-4-2-6-12(22)8-11)21-18-14-10-15-17-13(14)9-16(18)19(17)20(15)21/h2,4,6,8,13-21H,3,5,7,9-10H2,1H3/t13?,14?,15?,16?,17?,18?,19?,20?,21-/m0/s1
PubChem CID73349362
ChEMBLCHEMBL2432060
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition>50.0 %PMID23981939ChEMBL

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