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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

Namebrimonidine
Molecular formulaC11H10BrN5
IUPAC name5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
Molecular weight292.14
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP0.6
SynonymsBrimonidine [INN:BAN]
Opera_ID_612
CAS-59803-98-4
SR-01000000023-2
CPD000058355
[ Show all ]
Inchi KeyXYLJNLCSTIOKRM-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
PubChem CID2435
ChEMBLCHEMBL844
IUPHAR520
BindingDB34572
DrugBankDB00484

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
EC50281.84 nMBioorg. Med. Chem. Lett., (1995) 5:19:2255ChEMBL
IC501047.0 nMDrugMatrix in vitro pharmacology dataChEMBL
Intrinsic activity1.0 -Bioorg. Med. Chem. Lett., (1995) 5:19:2255ChEMBL
Ki5.01187 - 1000.0 nMPMID9824686, PMID9605427, PMID9760042IUPHAR
Ki34.67 nMBioorg. Med. Chem. Lett., (1995) 5:19:2255ChEMBL
Ki478.0 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki954.99 nMPMID9605427BindingDB
Ki954.993 nMPMID9605427PDSP

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