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GPCR

NameBeta-1 adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRB1
SynonymAdrenergic receptor beta 1
Adrb-1
ADRB1R
adrenergic receptor
beta 1-AR
[ Show all ]
DiseaseHeart failure; Cardiogenic shock
Heart failure
Glaucoma
Diabetes
Coronary artery disease
[ Show all ]
Length477
Amino acid sequenceMGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAARRRHATHGDRPRASGCLARPGPPPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV
UniProtP08588
Protein Data BankN/A
GPCR-HGmod modelP08588
3D structure modelThis predicted structure model is from GPCR-EXP P08588.
BioLiPN/A
Therapeutic Target DatabaseT44068
ChEMBLCHEMBL213
IUPHAR28
DrugBankBE0000172

Ligand

Namepindolol
Molecular formulaC14H20N2O2
IUPAC name1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Molecular weight248.326
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP1.8
Synonyms4-(3-(Isopropylamino)-2-hydroxypropoxy)indole
Pharmakon1600-01500488
IDI1_000837
AB00052072_13
Pindolol, >=98% (TLC), powder
[ Show all ]
Inchi KeyJZQKKSLKJUAGIC-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
PubChem CID4828
ChEMBLCHEMBL500
IUPHAR91
BindingDB50019443
DrugBankDB00960

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
Activity64.3 %PMID21870877ChEMBL
ED500.0061 mg.kg-1PMID2872332ChEMBL
IC500.921 nMDrugMatrix in vitro pharmacology dataChEMBL
Kd<10000.0 nMPMID21870877BindingDB
Kd2.399 nMPMID21870877ChEMBL
Kd2.4 nMPMID21870877BindingDB
Kd2.6 nMPMID21870877BindingDB
Kd2.63 nMPMID21870877ChEMBL
Kd>10000.0 nMPMID21870877ChEMBL
Ki0.52 nMPMID17804228BindingDB,ChEMBL
Ki0.52 nMPMID17804228PDSP,IUPHAR
Ki0.532 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki1.94 nMPMID7915318PDSP,BindingDB
Ki2.6 nMPMID14730417PDSP,BindingDB

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