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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

Name4-phenyl-3-buten-2-one thiosemicarbazone
Molecular formulaC11H13N3S
IUPAC name[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]thiourea
Molecular weight219.306
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP1.8
Synonyms81226-84-8
NSC306890
NSC 306890
AC1NTKD9
Probes1_000386
[ Show all ]
Inchi KeyAIVYBZNYDAYFOK-NJHPPEEMSA-N
Inchi IDInChI=1S/C11H13N3S/c1-9(13-14-11(12)15)7-8-10-5-3-2-4-6-10/h2-8H,1H3,(H3,12,14,15)/b8-7+,13-9+
PubChem CID5405847
ChEMBLCHEMBL1994401
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
Potency8912.5 nMPubChem BioAssay data setChEMBL

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