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GPCR

NameBeta-3 adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRB3
SynonymADRB
Adrb-3
adrenergic receptor
atypical beta-adrenoceptor
beta 3-AR
[ Show all ]
DiseaseUrinary incontinence
Diabetes
Glaucoma
Hypertension
Irritable bowel syndrome
[ Show all ]
Length408
Amino acid sequenceMAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIVAIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFASNMPYVLLSSSVSFYLPLLVMLFVYARVFVVATRQLRLLRGELGRFPPEESPPAPSRSLAPAPVGTCAPPEGVPACGRRPARLLPLREHRALCTLGLIMGTFTLCWLPFFLANVLRALGGPSLVPGPAFLALNWLGYANSAFNPLIYCRSPDFRSAFRRLLCRCGRRLPPEPCAAARPALFPSGVPAARSSPAQPRLCQRLDGASWGVS
UniProtP13945
Protein Data BankN/A
GPCR-HGmod modelP13945
3D structure modelThis predicted structure model is from GPCR-EXP P13945.
BioLiPN/A
Therapeutic Target DatabaseT51408
ChEMBLCHEMBL246
IUPHAR30
DrugBankBE0001012, BE0004872

Ligand

NameSCHEMBL6074126
Molecular formulaC22H26N4O3S
IUPAC name5-[[4-[4-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]piperidin-1-yl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Molecular weight426.535
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.1
Synonyms5-{4-[4-((2R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-piperidin-1-yl]-benzyl}-thiazolidine-2,4-dione
5-{4-[4-((2R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-piperidine-1-yl]-benzyl}-thiazolidine-2,4-dione
5-[4-[4-[[(2R)-2-Hydroxy-2-(3-pyridyl)ethyl]amino]piperidino]benzyl]-2,4-thiazolidinedione
AWMGTFQYJPFJJO-XJDOXCRVSA-N
Inchi KeyAWMGTFQYJPFJJO-XJDOXCRVSA-N
Inchi IDInChI=1S/C22H26N4O3S/c27-19(16-2-1-9-23-13-16)14-24-17-7-10-26(11-8-17)18-5-3-15(4-6-18)12-20-21(28)25-22(29)30-20/h1-6,9,13,17,19-20,24,27H,7-8,10-12,14H2,(H,25,28,29)/t19-,20?/m0/s1
PubChem CID44377536
ChEMBLCHEMBL161950
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
EC50900.0 nMPMID11277513ChEMBL
Intrinsic activity0.9 -PMID11277513ChEMBL

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