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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	Levobetaxolol
Molecular formula	C18H29NO3
IUPAC name	(2S)-1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular weight	307.434
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.8
Synonyms	K696 STK636241 (S)-Betaxolol AC1Q58SH levobetaxololum ZINC1530567 (2S)-1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol 75O9XHA4TU BDBM25752 FT-0773524 NCGC00386278-01 (S)-(-)-Betaxolol AB01566926_01 C18H29NO3 UNII-75O9XHA4TU 2-Propanol, 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino)-, (2S)- AKOS005568173 CHEMBL1201274 LS-178203 [(2S)-3-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-2-hydroxypropyl](propan-2-yl)amine (2s)-1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-(isopropylamino)propan-2-ol Betaxon DB09351 GTPL8035 SCHEMBL23532 (S)-1-(isopropylamino)-3-[p-(cyclopropylmethoxyethyl)phenoxy]-2-propanol AC1L1TO2 CHEBI:59254 Levobetaxolol [INN] UNII-O0ZR1R6RZ2 component NWIUTZDMDHAVTP-KRWDZBQOSA-N (-)-Betaxolol AL-1577A D0A6CQ MolPort-008-313-770 (2S)-1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-(propan-2-ylamino)propan-2-ol 93221-48-8 Betaxon (TN) DTXSID30239341 [ Show all ]
Inchi Key	NWIUTZDMDHAVTP-KRWDZBQOSA-N
Inchi ID	InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1
PubChem CID	60657
ChEMBL	CHEMBL1201274
IUPHAR	8035
BindingDB	25752
DrugBank	DB09351
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	1072.0 nM	PMID15655528	BindingDB

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