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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

NameCHEMBL421682
Molecular formulaC25H32F3N3O4
IUPAC name(6R)-6-[[(2R)-3-(4-acetamidophenoxy)-2-hydroxypropyl]amino]-N-[4-(trifluoromethyl)phenyl]heptanamide
Molecular weight495.543
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP3.2
Synonyms6-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino]-heptanoic acid (4-trifluoromethyl-phenyl)-amide(R,R)
BDBM50010553
Inchi KeyWNEIZOXOSDHMKM-VGOFRKELSA-N
Inchi IDInChI=1S/C25H32F3N3O4/c1-17(29-15-22(33)16-35-23-13-11-20(12-14-23)30-18(2)32)5-3-4-6-24(34)31-21-9-7-19(8-10-21)25(26,27)28/h7-14,17,22,29,33H,3-6,15-16H2,1-2H3,(H,30,32)(H,31,34)/t17-,22-/m1/s1
PubChem CID14485416
ChEMBLCHEMBL421682
IUPHARN/A
BindingDB50010553
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2170.0 nMPMID1967313BindingDB,ChEMBL
Relative potency6.3 -PMID1967313ChEMBL

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