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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

NameCHEMBL67998
Molecular formulaC33H38N4O5S
IUPAC name1-[4-[[6-[(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]naphthalen-2-yl]sulfamoyl]phenyl]-3-hexylurea
Molecular weight602.75
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP5.7
SynonymsBDBM50093041
N-[6-(6,7-Dihydroxy-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl)-naphthalen-2-yl]-4-(3-hexyl-ureido)-benzenesulfonamide
N-[6-(6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-ylmethyl)-2-naphthyl]-4-(3-hexylureido)benzenesulfonamide
Inchi KeyASCKRJRRWMTXJM-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H38N4O5S/c1-2-3-4-5-15-35-33(40)36-26-10-12-28(13-11-26)43(41,42)37-27-9-8-23-17-22(6-7-24(23)19-27)18-30-29-21-32(39)31(38)20-25(29)14-16-34-30/h6-13,17,19-21,30,34,37-39H,2-5,14-16,18H2,1H3,(H2,35,36,40)
PubChem CID44312949
ChEMBLCHEMBL67998
IUPHARN/A
BindingDB50093041
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50300.0 nMPMID11055339BindingDB,ChEMBL

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