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GPCR

NameBeta-2 adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRB2
Synonymbeta-2 adrenergic receptor
Gpcr7
beta2-adrenoceptor
Adrb-2
ADRB2R
[ Show all ]
DiseasePremature labour
Premature ejaculation
Obesity
Neurogenic bladder dysfunction
Hypertension
[ Show all ]
Length413
Amino acid sequenceMGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNTGEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
UniProtP07550
Protein Data Bank3nya, 3ny9, 3ny8, 3d4s, 2rh1, 3pds, 4gbr, 4lde, 6mxt, 6csy, 5x7d, 5jqh, 5d6l, 5d5b, 5d5a, 4ldo, 4ldl, 4qkx
GPCR-HGmod modelP07550
3D structure modelThis structure is from PDB ID 3nya.
BioLiPBL0257082, BL0113951, BL0113950, BL0257084, BL0257085, BL0283869, BL0333729, BL0333730, BL0333731,BL0333732,BL0333733, BL0333734, BL0333735, BL0333736,BL0333737,BL0333738, BL0113952,BL0113953,BL0113954, BL0147310, BL0257081, BL0257080, BL0232997, BL0192129, BL0257083, BL0185746,BL0185747, BL0185745, BL0185743,BL0185744, BL0185742, BL0185740,BL0185741, BL0147311,BL0147312, BL0351701,BL0351703, BL0351702,BL0351704, BL0192128, BL0433200, BL0433199, BL0430930, BL0430929, BL0388810, BL0388809, BL0354449, BL0185748, BL0354450, BL0354451,BL0354452,BL0354453, BL0388807,BL0388808
Therapeutic Target DatabaseT24555, T52522
ChEMBLCHEMBL210
IUPHAR29
DrugBankBE0000694

Ligand

Namepropranolol
Molecular formulaC16H21NO2
IUPAC name1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Molecular weight259.349
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.0
Synonyms1-(1-Naphthyloxy)-2-hydroxy-3-(isopropylamino)propane
PDSP1_001607
D08443
1-(naphthalen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol
Prestwick2_000952
[ Show all ]
Inchi KeyAQHHHDLHHXJYJD-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
PubChem CID4946
ChEMBLCHEMBL27
IUPHAR564
BindingDB25761
DrugBankDB00571

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
IC501.116 nMDrugMatrix in vitro pharmacology dataChEMBL
IC5050.12 nMPMID26565745ChEMBL
Kd0.239883 nMPMID21870877BindingDB
Kd0.2399 nMPMID21870877ChEMBL
Kd0.60256 nMPMID21870877BindingDB
Kd0.6026 nMPMID21870877ChEMBL
Kd0.79 nMPMID19168263ChEMBL
Kd0.83 nMPMID15655528BindingDB
Kd7.9 nMPMID19168263BindingDB
Ki0.01 nMPMID8935801PDSP,BindingDB
Ki0.316228 - 0.794328 nMPMID10079020, PMID10531390, PMID15655528, PMID12920204IUPHAR
Ki0.38 nMPMID7915318PDSP,BindingDB
Ki0.46 nMPMID24326276ChEMBL
Ki0.61 nMPMID7915318PDSP,BindingDB
Ki0.767 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki0.8 nMPMID14730417PDSP,BindingDB
Ki2.1 nMPMID8699BindingDB
Ki3.69 nMPMID24326276ChEMBL
Ki400.0 nMPMID8699BindingDB

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