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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

NameRilmenidine
Molecular formulaC10H16N2O
IUPAC nameN-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
Molecular weight180.251
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP1.2
SynonymsLopac-R-134
N-(Dicyclopropylmethyl)-N-(4,5-dihydro-1,3-oxazol-2-yl)amine
NCGC00015884-08
NCGC00021689-06
187R041
[ Show all ]
Inchi KeyCQXADFVORZEARL-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)
PubChem CID68712
ChEMBLCHEMBL289480
IUPHARN/A
BindingDB50070328
DrugBankDB11738

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50724.0 nMN/ABindingDB
EC50724.44 nMBioorg. Med. Chem. Lett., (1994) 4:19:2317ChEMBL
Ki42.66 nMPMID22750139ChEMBL
Ki70.79 nMBioorg. Med. Chem. Lett., (1994) 4:19:2317ChEMBL
Ki71.0 nMN/ABindingDB

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