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GPCR

Name	Beta-3 adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRB3
Synonym	ADRB Adrb-3 adrenergic receptor atypical beta-adrenoceptor beta 3-AR Beta-3 adrenoceptor Beta-3 adrenoreceptor beta3-adrenergic receptor beta3-adrenoceptor [ Show all ]
Disease	Urinary incontinence Diabetes Glaucoma Hypertension Irritable bowel syndrome Major depressive disorder; Obesity; Type 2 diabetes Major depressive disorder; Severe mood disorders Obesity Gastrointestinal disease Obesity; Type 2 diabetes Asthma; Chronic obstructive pulmonary disease Asthma Angina pectoris Overactive bladder disorder Type 2 diabetes [ Show all ]
Length	408
Amino acid sequence	MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIVAIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFASNMPYVLLSSSVSFYLPLLVMLFVYARVFVVATRQLRLLRGELGRFPPEESPPAPSRSLAPAPVGTCAPPEGVPACGRRPARLLPLREHRALCTLGLIMGTFTLCWLPFFLANVLRALGGPSLVPGPAFLALNWLGYANSAFNPLIYCRSPDFRSAFRRLLCRCGRRLPPEPCAAARPALFPSGVPAARSSPAQPRLCQRLDGASWGVS
UniProt	P13945
Protein Data Bank	N/A
GPCR-HGmod model	P13945
3D structure model	This predicted structure model is from GPCR-EXP P13945.
BioLiP	N/A
Therapeutic Target Database	T51408
ChEMBL	CHEMBL246
IUPHAR	30
DrugBank	BE0001012, BE0004872

Ligand

Name	LEVOBUNOLOL
Molecular formula	C17H25NO3
IUPAC name	5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one
Molecular weight	291.391
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.4
Synonyms	(-)-Bunolol API0003156 C-18293 CHEMBL1201237 GTPL570 Levobunololum Prestwick0_000847 W-6412A 1(2H)-Naphthalenone, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-3,4-dihydro-, (S)- AJ-45756 Betagan CAS-47141-41-3 l-Bunolol Liquifilm (TN) Prestwick3_000847 ZINC3830339 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one Akbeta BRD-K31812033-003-03-7 CHEBI:6438 FT-0604397 Levobunolol HCl NCGC00016801-02 UNII-71QSY2UT3G component IXHBTMCLRNMKHZ-LBPRGKRZSA-N (S)-5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-3,4-dihydro-1(2H)-naphthalenone AC1L21RP AX8246776 C07914 D00IUG IXHBTMCLRNMKHZ-LBPRGKRZSA-N Levobunololum [INN-Latin] Prestwick1_000847 W-6421A 47141-42-4 Ak-beta Betegan (TN) CC-29916 DB01210 LS-175034 SCHEMBL24095 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one AKOS016012242 BSPBio_000833 G6317AOI7K Levobunolol [INN:BAN] NCGC00016801-03 UNII-G6317AOI7K (S)-5-(3-(tert-Butylamino)-2-hydroxypropoxy)-3,4-dihydronaphthalen-1(2H)-one AC1Q6JRH beta-site CAS-27912-14-7 D08115 KB-211580 liquifilm Prestwick2_000847 W-7000A 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-1-one AK-Beta (TN) BPBio1_000917 CCRIS 4375 DTXSID1043833 Levobunolol (INN) NCGC00016801-01 SPBio_002754 [ Show all ]
Inchi Key	IXHBTMCLRNMKHZ-LBPRGKRZSA-N
Inchi ID	InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1
PubChem CID	39468
ChEMBL	CHEMBL1201237
IUPHAR	570
BindingDB	N/A
DrugBank	DB01210
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	340.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	160.0 nM	PMID14744619	IUPHAR
Ki	255.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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