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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Beta-2 adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adrb2
Synonym	beta2-adrenoceptor Beta-2 adrenoreceptor Beta-2 adrenoceptor beta-2 adrenergic receptor beta 2-AR B2AR adrenoceptor beta 2, surface adrenergic receptor ADRBR ADRB2R Adrb-2 Gpcr7 [ Show all ]
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MEPHGNDSDFLLAPNGSRAPGHDITQERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYVAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHKQAIDCYAKETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNLSQVEQDGRSGHGLRSSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIRANLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKTYGNGYSSNSNGRTDYTGEQSAYQLGQEKENELLCEEAPGMEGFVNCQGTVPSLSIDSQGRNCNTNDSPL
UniProt	P10608
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3754
IUPHAR	29
DrugBank	N/A

Ligand

Name	Bunolol
Molecular formula	C17H25NO3
IUPAC name	5-[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	AC1Q6JRI Bunololum [INN-Latin] DTXSID7022702 W-6412A (+-)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one 27591-01-1 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one CC-25267 L000824 (+/-)-Bunolol AB01563321_01 Bunololo [DCIT] CHEMBL293030 SBI-0206800.P001 1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-5-(3-(tert-BUTYLAMINO)-2-HYDROXYPROPOXY)- BRD-A46876182-003-01-0 C-23665 FT-0756863 W-6421A (+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-3,4-dihydro-1(2H)-naphthalenone 3,4-Dihydro-5-(3-(tert-butylamino)-2-hydroxy)propoxy-1(2H)-naphthalenone 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one Bunolol [INN] CHEBI:29110 LS-95038 (-)-5-[3-(tert-Butylamino)-2-hydroxypropoxy]-3,4-dihydro-1(2H)- naphthalenone AC1L1GZT Bunololum CTK4F9942 SCHEMBL828612 1(2H)-Naphthalenone,5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro- BRN 1887243 C04883 IXHBTMCLRNMKHZ-UHFFFAOYSA-N (+/-)-5-[(tert-butylaminol)-2'-hydroxypropoxy]-3,4-dihydro-1(2H)-naphthalenone 5-[3-(tert-Butylamino)-2-hydroxypropoxy]-3,4-dihydro-1(2H)-naphthalenone # 591B011 Bunololo NCGC00263903-02 (?)-5-[3-(tert-Butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalene-1(2H)-one hydrochloride,(?)-Bunolol hydrochloride [ Show all ]
Inchi Key	IXHBTMCLRNMKHZ-UHFFFAOYSA-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
PubChem CID	3914
ChEMBL	CHEMBL293030
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kapp	0.017 uM	PMID37339	ChEMBL

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