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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

NameCHEMBL32391
Molecular formulaC19H22Cl2N2O4
IUPAC name2-[2,6-dichloro-4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]anilino]acetic acid
Molecular weight413.295
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP1.2
SynonymsN-[2,6-dichloro-4-[2-[[(1S, 2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]phenyl]-aminoacetic acid
SCHEMBL7107114
BDBM50409472
KDJXRWPCYRQOAD-WLRWDXFRSA-N
[[4-[2-[[(1S,2R)-2-(4-Hydroxyphenyl)-2-hydroxy-1-methylethyl]amino]ethyl]-2,6-dichlorophenyl]amino]acetic acid
Inchi KeyKDJXRWPCYRQOAD-WLRWDXFRSA-N
Inchi IDInChI=1S/C19H22Cl2N2O4/c1-11(19(27)13-2-4-14(24)5-3-13)22-7-6-12-8-15(20)18(16(21)9-12)23-10-17(25)26/h2-5,8-9,11,19,22-24,27H,6-7,10H2,1H3,(H,25,26)/t11-,19-/m0/s1
PubChem CID9844606
ChEMBLCHEMBL32391
IUPHARN/A
BindingDB50409472
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5014125.4 nMPMID11311067BindingDB,ChEMBL

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