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GPCR

NameBeta-2 adrenergic receptor
SpeciesBos taurus (Bovine)
GeneADRB2
SynonymBeta-2 adrenoceptor
Beta-2 adrenoreceptor
DiseaseN/A for non-human GPCRs
Length418
Amino acid sequenceMGQPGNRSVFLLAPNASHAPDQNVTLERDEAWVVGMGILMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGACHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYLAITSPFKYQCLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRASHKEAINCYAKETCCDFFTNQPYAIASSIVSFYLPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNVSQVEQDGRSGLGQRRTSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIKDNLIRKEIYILLNWLGYINSAFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGCSSNSNDRTDYTGEQSGYHLGEEKDSELLCEDPPGTENFVNQQGTVPSDSIDSQGRNCSTNDSLL
UniProtQ28044
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3373
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL1178755
Molecular formulaC10H22N2O2
IUPAC name(3E)-1-(tert-butylamino)-3-propoxyiminopropan-2-ol
Molecular weight202.298
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.1
SynonymsBDBM50036842
3-tert-Butylamino-2-hydroxy-propionaldehyde O-propyl-oxime; compound with (E)-but-2-enedioic acid
Inchi KeySMJOAFHPQBEWCA-XYOKQWHBSA-N
Inchi IDInChI=1S/C10H22N2O2/c1-5-6-14-12-8-9(13)7-11-10(2,3)4/h8-9,11,13H,5-7H2,1-4H3/b12-8+
PubChem CID10442852
ChEMBLN/A
IUPHARN/A
BindingDB50036842
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki850.0 nMPMID7910217BindingDB

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