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GPCR

NameBeta-2 adrenergic receptor
SpeciesCavia porcellus (Guinea pig)
GeneAdrb2
SynonymBeta-2 adrenoceptor
Beta-2 adrenoreceptor
DiseaseN/A for non-human GPCRs
Length418
Amino acid sequenceMGHLGNGSDFLLAPNASHAPDHNVTRERDEAWVVGMAIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMNMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVVILMVWVVSGLTSFLPIQMHWYRATHKDAINCYAEETCCDFFTNQAYAIASSIVSFYLPLVVMVFVYSRVFQVAKKQLQKIDRSEGRFHTQNLSQVEQDGRSGHGLRRSSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIPKEVYILLNWVGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSALKAYGNDCSSNSNGKTDYTGEPNVCHQGQEKERELLCEDPPGTEDLVSCPGTVPSDSIDSQGRNYSTNDSLL
UniProtQ8K4Z4
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5414
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL31416
Molecular formulaC20H25NO4
IUPAC namemethyl 3-[4-[3-(benzylamino)-2-hydroxypropoxy]phenyl]propanoate
Molecular weight343.423
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM50404799
Inchi KeyALZSZHREWOBRCT-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25NO4/c1-24-20(23)12-9-16-7-10-19(11-8-16)25-15-18(22)14-21-13-17-5-3-2-4-6-17/h2-8,10-11,18,21-22H,9,12-15H2,1H3
PubChem CID13040905
ChEMBLCHEMBL31416
IUPHARN/A
BindingDB50404799
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd12589.2 nMPMID6130154BindingDB,ChEMBL

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