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GPCR

NameBeta-2 adrenergic receptor
SpeciesRattus norvegicus (Rat)
GeneAdrb2
Synonymbeta2-adrenoceptor
Beta-2 adrenoreceptor
Beta-2 adrenoceptor
beta-2 adrenergic receptor
beta 2-AR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length418
Amino acid sequenceMEPHGNDSDFLLAPNGSRAPGHDITQERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYVAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHKQAIDCYAKETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNLSQVEQDGRSGHGLRSSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIRANLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKTYGNGYSSNSNGRTDYTGEQSAYQLGQEKENELLCEEAPGMEGFVNCQGTVPSLSIDSQGRNCNTNDSPL
UniProtP10608
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3754
IUPHAR29
DrugBankN/A

Ligand

NameCHEMBL126347
Molecular formulaC9H11F2NO3
IUPAC name3,6-difluoro-4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
Molecular weight219.188
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP0.1
Synonyms3,6-Difluoro-4-[1-hydroxy-2-(methylamino)ethyl]-1,2-benzenediol #
AC1LBSVC
Benzeneethanamine, 2,5-difluoro-.beta.,3,4-trihydroxy-N-methyl-
3,6-difluoro-4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
KCSBHJHUGQEHSD-UHFFFAOYSA-N
[ Show all ]
Inchi KeyKCSBHJHUGQEHSD-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H11F2NO3/c1-12-3-6(13)4-2-5(10)8(14)9(15)7(4)11/h2,6,12-15H,3H2,1H3
PubChem CID541614
ChEMBLCHEMBL126347
IUPHARN/A
BindingDB50042999
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki710.0 nMPMID8254623BindingDB,ChEMBL

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