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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

NameCHEMBL418308
Molecular formulaC35H32N4O3S2
IUPAC nameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[4-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]benzenesulfonamide
Molecular weight620.786
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP6.0
SynonymsSCHEMBL8085550
BDBM50091784
N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-(4-naphthalen-2-ylmethyl-thiazol-2-yl)-benzenesulfonamide
Inchi KeyADOUHIKUSVYGDB-UMSFTDKQSA-N
Inchi IDInChI=1S/C35H32N4O3S2/c40-34(30-6-3-18-36-22-30)23-37-19-17-25-8-13-31(14-9-25)39-44(41,42)33-15-11-28(12-16-33)35-38-32(24-43-35)21-26-7-10-27-4-1-2-5-29(27)20-26/h1-16,18,20,22,24,34,37,39-40H,17,19,21,23H2/t34-/m0/s1
PubChem CID11556330
ChEMBLCHEMBL418308
IUPHARN/A
BindingDB50091784
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC502300.0 nMPMID10987429BindingDB,ChEMBL

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