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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

NameCHEMBL24480
Molecular formulaC10H22N2O2
IUPAC name1-(tert-butylamino)-3-(propan-2-ylideneamino)oxypropan-2-ol
Molecular weight202.298
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP0.5
SynonymsCHEMBL555848
2-Propanone O-[2-hydroxy-3-(tert-butylamino)propyl]oxime
BDBM50404502
BDBM50405014
Inchi KeyAFWOEYYVPRUVIQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H22N2O2/c1-8(2)12-14-7-9(13)6-11-10(3,4)5/h9,11,13H,6-7H2,1-5H3
PubChem CID12606706
ChEMBLCHEMBL24480
IUPHARN/A
BindingDB50405014, 50404502
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd22.39 nMPMID6104730, PMID6148422BindingDB,ChEMBL

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