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GPCR

NameBeta-2 adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRB2
Synonymbeta-2 adrenergic receptor
Gpcr7
beta2-adrenoceptor
Adrb-2
ADRB2R
[ Show all ]
DiseasePremature labour
Premature ejaculation
Obesity
Neurogenic bladder dysfunction
Hypertension
[ Show all ]
Length413
Amino acid sequenceMGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNTGEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
UniProtP07550
Protein Data Bank3nya, 3ny9, 3ny8, 3d4s, 2rh1, 3pds, 4gbr, 4lde, 6mxt, 6csy, 5x7d, 5jqh, 5d6l, 5d5b, 5d5a, 4ldo, 4ldl, 4qkx
GPCR-HGmod modelP07550
3D structure modelThis structure is from PDB ID 3nya.
BioLiPBL0257082, BL0113951, BL0113950, BL0257084, BL0257085, BL0283869, BL0333729, BL0333730, BL0333731,BL0333732,BL0333733, BL0333734, BL0333735, BL0333736,BL0333737,BL0333738, BL0113952,BL0113953,BL0113954, BL0147310, BL0257081, BL0257080, BL0232997, BL0192129, BL0257083, BL0185746,BL0185747, BL0185745, BL0185743,BL0185744, BL0185742, BL0185740,BL0185741, BL0147311,BL0147312, BL0351701,BL0351703, BL0351702,BL0351704, BL0192128, BL0433200, BL0433199, BL0430930, BL0430929, BL0388810, BL0388809, BL0354449, BL0185748, BL0354450, BL0354451,BL0354452,BL0354453, BL0388807,BL0388808
Therapeutic Target DatabaseT24555, T52522
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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