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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

Namecandesartan
Molecular formulaC24H20N6O3
IUPAC name2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
Molecular weight440.463
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.1
SynonymsCV 11974
2-ethoxy-1-[[2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1h-benzimidazole-7-carboxylic acid
DSSTox_CID_2725
2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzimidazole-4-carboxylic acid
GTPL587
[ Show all ]
Inchi KeyHTQMVQVXFRQIKW-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
PubChem CID2541
ChEMBLCHEMBL1016
IUPHAR587, 6907
BindingDB50240609
DrugBankDB13919

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC504300.0 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki3200.0 nMDrugMatrix in vitro pharmacology dataChEMBL

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