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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.
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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	Metaterol
Molecular formula	C11H17NO2
IUPAC name	3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
Molecular weight	195.262
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	0.5
Synonyms	3-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenol API0010536 CHEMBL327122 Metaterol [INN] 4-13-00-02654 (Beilstein Handbook Reference) Benzenemethanol, 3-hydroxy-alpha-(((1-methylethyl)amino)methyl)- (9CI) Isopropylnoradrianol Metaterolum [Latin] 3-Hydroxy-alpha-((isopropylamino)methyl)benzylalkohol ACM3571719 BRN 2805325 m-Hydroxy-alpha-(isopropylaminomethyl)benzyl alcohol 3-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenol, 7 BDBM92679 EINECS 222-678-9 Metaterolum Benzenemethanol, 3-hydroxy-alpha-[[(1-methylethyl)amino]methyl]- LS-43015 S 40045-9 3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol AKOS006273701 3571-71-9 Benzenemethanol, 3-hydroxy-alpha-(((1-methylethyl)amino)methyl)- Isofenefrine Metaterolum [INN-Latin] SCHEMBL249460 1-(3-hydroxyphenyl)-2-isopropylaminoethanol AC1L2DIR BENZYL ALCOHOL, m-HYDROXY-alpha-((ISOPROPYLAMINO)METHYL)- m-Hydroxy-alpha-((isopropylamino)methyl)benzyl alcohol [ Show all ]
Inchi Key	LVISWIXSNZQRHA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H17NO2/c1-8(2)12-7-11(14)9-4-3-5-10(13)6-9/h3-6,8,11-14H,7H2,1-2H3
PubChem CID	19136
ChEMBL	CHEMBL327122
IUPHAR	N/A
BindingDB	92679
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	9.0 -	PMID2836587	ChEMBL
-Log KD	6.34 -	PMID2993621	ChEMBL
Kd	910.0 nM	PMID2993621	BindingDB,ChEMBL

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