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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

NameCHEMBL230489
Molecular formulaC28H31F3N2O5
IUPAC name2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
Molecular weight532.56
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP4.2
SynonymsSCHEMBL4261050
Inchi KeyBYOZRDSUPAUFPE-DWXRJYCRSA-N
Inchi IDInChI=1S/C28H31F3N2O5/c1-18(32-16-26(36)22-7-10-25(35)23(14-22)17-34)11-20-3-2-4-21(12-20)13-27(37)33-15-19-5-8-24(9-6-19)38-28(29,30)31/h2-10,12,14,18,26,32,34-36H,11,13,15-17H2,1H3,(H,33,37)/t18-,26+/m1/s1
PubChem CID11237917
ChEMBLCHEMBL230489
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Activity1.0 -PMID17498952ChEMBL
TIME8.1 hrPMID17498952ChEMBL

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