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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	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	tert-Butylnorsynephrine
Molecular formula	C12H19NO2
IUPAC name	4-[2-(tert-butylamino)-1-hydroxyethyl]phenol
Molecular weight	209.289
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	0.4
Synonyms	N-t-butyl-2-(4-hydroxyphenyl)-2-hydroxyethyl-amine 96948-64-0 BENZYL ALCOHOL, alpha-((tert-BUTYLAMINO)METHYL)-p-HYDROXY- STL454224 (1RS)-2-[(1,1-Dimethylethyl)amino]-1-(4-hydroxyphenyl)ethanol alpha-(tert-Butylaminomethyl)-p-hydroxybenzyl alcohol CHEMBL1159887 Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy- (9CI) Kwd-2066 Salbutamol Impurity B AC1L2N14 BRN 3260793 t-Butylnorsynephrine 3-13-00-02243 (Beilstein Handbook Reference) BDBM50421733 CTK5D8612 7376-67-2 Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy-, (+-)- LS-42750 SCHEMBL6464765 (((1,1-DIMETHYLETHYL)AMINO)METHYL)-4-HYDROXYBENZYL ALCOHOL AKOS022649864 4-[2-(tert-butylamino)-1-hydroxyethyl]phenol Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy- Kwd 2066 [ Show all ]
Inchi Key	JOGFUYPGDLRKHD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H19NO2/c1-12(2,3)13-8-11(15)9-4-6-10(14)7-5-9/h4-7,11,13-15H,8H2,1-3H3
PubChem CID	23844
ChEMBL	CHEMBL1159887
IUPHAR	N/A
BindingDB	50421733
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
-Log KD	6.2 -	PMID2993621	ChEMBL
cAMP production	97.0 pM min-1 mg-1	PMID2870189	ChEMBL
Concentration	0.0001 M	PMID2870189	ChEMBL
ISA	0.8 -	PMID2870189	ChEMBL
Kd	1260.0 nM	PMID2993621	BindingDB,ChEMBL
Kd	1350.0 nM	PMID2870189	BindingDB
KD app	1.35 uM	PMID2870189	ChEMBL

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