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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.
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GPCR

Name	Beta-2 adrenergic receptor
Species	Bos taurus (Bovine)
Gene	ADRB2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGQPGNRSVFLLAPNASHAPDQNVTLERDEAWVVGMGILMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGACHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYLAITSPFKYQCLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRASHKEAINCYAKETCCDFFTNQPYAIASSIVSFYLPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNVSQVEQDGRSGLGQRRTSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIKDNLIRKEIYILLNWLGYINSAFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGCSSNSNDRTDYTGEQSGYHLGEEKDSELLCEDPPGTENFVNQQGTVPSDSIDSQGRNCSTNDSLL
UniProt	Q28044
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	CHEMBL3373
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Deterenol
Molecular formula	C11H17NO2
IUPAC name	4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
Molecular weight	195.262
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	0.2
Synonyms	4-(1-Hydroxy-2-(isopropylamino)ethyl)phenol 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenol, 8 BRN 2098796 LS-43016 4-Hydroxy-alpha-isopropylaminomethylbenzyl alcohol AC1L2N13 PI-39 1-(4-hydroxyphenyl)-2-isopropylaminoethanol 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol BDBM92680 DETERNOLUM 4-13-00-02660 (Beilstein Handbook Reference) 7376-66-1 Paraproterenol ( -)-1-(4-Hydroxyphenyl)-2-(isopropylamino)ethanol 4-hydroxy-alpha-[(isopropylamino)methyl]benzenemethanol ACM3506318 Deterenol [INN] SCHEMBL828537 3506-31-8 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenol BENZYL ALCOHOL, p-HYDROXY-alpha-ISOPROPYLAMINOMETHYL- dl-N-Isopropyloctopamine 4-Hydroxy-alpha-(((1-methylethyl)amino)methyl)benzenemethanol CHEMBL109378 PI 39 (+-)-1-(4-Hydroxyphenyl)-2-(isopropylamino)ethanol 4-[1-HYDROXY-2-(ISOPROPYLAMINO)ETHYL]PHENOL AKOS006271446 Deterenolum WIN 833 [ Show all ]
Inchi Key	MPCPSVWSWKWJLO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H17NO2/c1-8(2)12-7-11(14)9-3-5-10(13)6-4-9/h3-6,8,11-14H,7H2,1-2H3
PubChem CID	23843
ChEMBL	CHEMBL109378
IUPHAR	N/A
BindingDB	92680
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
-Delta G	8.05 -	PMID2836587	ChEMBL
-Log KD	5.67 -	PMID2993621	ChEMBL
Kd	4270.0 nM	PMID2993621	BindingDB,ChEMBL

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