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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

NameN-[(diallylamino)carbonothioyl]-4-methoxybenzamide
Molecular formulaC15H18N2O2S
IUPAC nameN-[bis(prop-2-enyl)carbamothioyl]-4-methoxybenzamide
Molecular weight290.381
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.8
SynonymsAC1LX26W
MLS000624663
ARONIS008083
CHEMBL1428739
MolPort-001-584-724
[ Show all ]
Inchi KeyACLIHVLZFWCPMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H18N2O2S/c1-4-10-17(11-5-2)15(20)16-14(18)12-6-8-13(19-3)9-7-12/h4-9H,1-2,10-11H2,3H3,(H,16,18,20)
PubChem CID1791946
ChEMBLCHEMBL1428739
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
Potency31622.8 nMPubChem BioAssay data setChEMBL

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