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GPCR

NameBeta-2 adrenergic receptor
SpeciesMus musculus (Mouse)
GeneAdrb2
Synonymbeta2-adrenoceptor
beta-2 adrenoreceptor
Beta-2 adrenoceptor
beta-2 adrenergic receptor
Adrb-2
[ Show all ]
DiseaseN/A for non-human GPCRs
Length418
Amino acid sequenceMGPHGNDSDFLLAPNGSRAPDHDVTQERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAKFERLQTVTNYFIISLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYVAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHKKAIDCYTEETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNLSQVEQDGRSGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIRDNLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKTYGNGYSSNSNGRTDYTGEPNTCQLGQEREQELLCEDPPGMEGFVNCQGTVPSLSVDSQGRNCSTNDSPL
UniProtP18762
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3707
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL74122
Molecular formulaC25H35N3O4
IUPAC name(6R)-6-[[(2R)-3-(4-acetamidophenoxy)-2-hydroxypropyl]amino]-N-(4-methylphenyl)heptanamide
Molecular weight441.572
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP2.7
Synonyms6-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino]-heptanoic acid p-tolylamide(R,R)
BDBM50010560
Inchi KeyMHHCJOYFYLUHFU-AUSIDOKSSA-N
Inchi IDInChI=1S/C25H35N3O4/c1-18-8-10-22(11-9-18)28-25(31)7-5-4-6-19(2)26-16-23(30)17-32-24-14-12-21(13-15-24)27-20(3)29/h8-15,19,23,26,30H,4-7,16-17H2,1-3H3,(H,27,29)(H,28,31)/t19-,23-/m1/s1
PubChem CID44310958
ChEMBLCHEMBL74122
IUPHARN/A
BindingDB50010560
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki53600.0 nMPMID1967313BindingDB
Ki53600.0 nMPMID1967313ChEMBL
Relative potency0.25 -PMID1967313ChEMBL

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