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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

NameCHEMBL368392
Molecular formulaC32H39N5O5S
IUPAC name(5Z)-5-[[4-[4-[[(2S)-2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]amino]piperidin-1-yl]phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
Molecular weight605.754
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP3.4
Synonyms8-Hydroxy-5-((S)-2-hydroxy-3-{1-[4-(4-oxo-2-piperidin-1-yl-4H-thiazol-5-ylidenemethyl)-phenyl]-piperidin-4-ylamino}-propoxy)-3,4-dihydro-1H-quinolin-2-one
BDBM50099165
Inchi KeyBFACSCQFBISBNQ-LKSMXUKOSA-N
Inchi IDInChI=1S/C32H39N5O5S/c38-24(20-42-27-10-9-26(39)30-25(27)8-11-29(40)34-30)19-33-22-12-16-36(17-13-22)23-6-4-21(5-7-23)18-28-31(41)35-32(43-28)37-14-2-1-3-15-37/h4-7,9-10,18,22,24,33,38-39H,1-3,8,11-17,19-20H2,(H,34,40)/b28-18-/t24-/m0/s1
PubChem CID44386374
ChEMBLCHEMBL368392
IUPHARN/A
BindingDB50099165
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC506.0 nMPMID11327605BindingDB,ChEMBL
IA1.1 -PMID11327605ChEMBL

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