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GPCR

NameBeta-2 adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRB2
SynonymGpcr7
ADRBR
beta-2 adrenoreceptor
Beta-2 adrenoceptor
Adrb-2
[ Show all ]
DiseaseOcular hypertension
Chronic breathing disorders
Cachexia
Bronchodilator
Bradycardia; Heart block
[ Show all ]
Length413
Amino acid sequenceMGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNTGEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
UniProtP07550
Protein Data Bank5d6l, 3ny8, 3pds, 6mxt, 4gbr, 3d4s, 4qkx, 4ldl, 5jqh, 3nya, 6csy, 2rh1, 3ny9, 5d5a, 5d5b, 5x7d, 4ldo, 4lde
GPCR-HGmod modelP07550
3D structure modelThis structure is from PDB ID 5d6l.
BioLiPBL0333729, BL0354449, BL0185743,BL0185744, BL0185745, BL0113950, BL0113952,BL0113953,BL0113954, BL0113951, BL0430930, BL0333736,BL0333737,BL0333738, BL0430929, BL0257080, BL0257081, BL0185746,BL0185747, BL0185748, BL0354451,BL0354452,BL0354453, BL0354450, BL0333734, BL0333731,BL0333732,BL0333733, BL0333735, BL0388810, BL0388809, BL0388807,BL0388808, BL0257084, BL0433199, BL0433200, BL0192129, BL0192128, BL0333730, BL0185740,BL0185741, BL0351701,BL0351703, BL0351702,BL0351704, BL0257085, BL0185742, BL0232997, BL0147310, BL0147311,BL0147312, BL0283869, BL0257082, BL0257083
Therapeutic Target DatabaseT52522, T24555
ChEMBLCHEMBL210
IUPHAR29
DrugBankBE0000694

Ligand

NameAC1PGOWB
Molecular formulaC20H19NO5S
IUPAC name(5-acetyl-2-ethoxyphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
Molecular weight385.434
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.8
Synonyms(5-acetyl-2-ethoxyphenyl)methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
(5-acetyl-2-ethoxyphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
876864-82-3
AKOS001214668
CHEMBL1512388
[ Show all ]
Inchi KeyAKESUPIAIZBOMO-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19NO5S/c1-3-25-17-6-4-13(12(2)22)8-15(17)10-26-20(24)14-5-7-18-16(9-14)21-19(23)11-27-18/h4-9H,3,10-11H2,1-2H3,(H,21,23)
PubChem CID8902540
ChEMBLCHEMBL1512388
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Potency4610.9 nMPubChem BioAssay data setChEMBL
Potency25929.0 nMPubChem BioAssay data setChEMBL
Potency32642.7 nMPubChem BioAssay data setChEMBL

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