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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

NameCHEMBL327091
Molecular formulaC21H32N2O3
IUPAC name(10Z)-10-[3-(tert-butylamino)-2-hydroxypropoxy]imino-4b,5,6,7,8,9-hexahydrobenzo[a]azulen-9a-ol
Molecular weight360.498
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.2
Synonyms9a-Hydroxy-5,6,7,8,9,9a-hexahydro-4bH-benzo[a]azulen-10-one O-(3-tert-butylamino-2-hydroxy-propyl)-oxime
BDBM50017385
Inchi KeyBSWNEOMXEKHLHU-NMWGTECJSA-N
Inchi IDInChI=1S/C21H32N2O3/c1-20(2,3)22-13-15(24)14-26-23-19-17-10-7-6-9-16(17)18-11-5-4-8-12-21(18,19)25/h6-7,9-10,15,18,22,24-25H,4-5,8,11-14H2,1-3H3/b23-19-
PubChem CID44338613
ChEMBLCHEMBL327091
IUPHARN/A
BindingDB50017385
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50440.0 nMPMID2563296BindingDB,ChEMBL

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