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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

NameBDBM50097804
Molecular formulaC26H28N4O5S
IUPAC name4-hydroxy-5-[[4-[4-[[(2R)-2-hydroxy-2-[(2-oxo-1H-quinolin-5-yl)oxy]ethyl]amino]piperidin-1-yl]phenyl]methyl]-3H-1,3-thiazol-2-one
Molecular weight508.593
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP2.9
Synonyms5-(4-{4-[2-Hydroxy-2-(2-oxo-1,2-dihydro-quinolin-5-yloxy)-ethylamino]-piperidin-1-yl}-benzyl)-thiazolidine-2,4-dione
Inchi KeyBIKQQCJDQLEKDX-XMMPIXPASA-N
Inchi IDInChI=1S/C26H28N4O5S/c31-23-9-8-19-20(28-23)2-1-3-21(19)35-24(32)15-27-17-10-12-30(13-11-17)18-6-4-16(5-7-18)14-22-25(33)29-26(34)36-22/h1-9,17,24,27,32-33H,10-15H2,(H,28,31)(H,29,34)/t24-/m1/s1
PubChem CID91931607
ChEMBLN/A
IUPHARN/A
BindingDB50097804
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC5013.0 nMPMID11277513BindingDB

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