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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	Colterol
Molecular formula	C12H19NO3
IUPAC name	4-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol
Molecular weight	225.288
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	-0.4
Synonyms	Colterolum N-tert-butyl-2-(3,4-dihydroxyphenyl)-2-hydroxyethylamine 1,2-Benzenediol, 4-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]- ACM18866789 dl-1-(3,4-Dihydroxyphenyl)-2-tert-butylaminoethanol t-Butylnorepinephrine (+-)-N-tert-Butylarterenol 4-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol CHEBI:73085 KWD 2026 1,2-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)- a-[(t-butylamino)methyl]-3,4-dihydroxy-benzyl alcohol Colterolum [INN-Latin] S 1541 18866-78-9 BDBM50421728 dl-N-tert-Butylnorepinephrine Win 5563 (+-)-tert-Butyl noradrenaline 4363-02-4 N-t-Butylarterenol 1,2-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-,(+-)- AC1L18FI Colterol [INN] CTK1C8071 SCHEMBL249585 (+-)-N-t-Butylnoradrenaline 4-(2-((1-Dimethylethyl)amino)-1-hydroxyethyl)-1,2-benzenediol Benzyl alcohol, alpha-((tert-butylamino)methyl)-3,4-dihydroxy-, (+-)- FT-0716336 (+/-)-N-tert-butylarterenol CHEMBL1159715 [ Show all ]
Inchi Key	PHSMOUBHYUFTDM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-5-9(14)10(15)6-8/h4-6,11,13-16H,7H2,1-3H3
PubChem CID	25104
ChEMBL	CHEMBL1159715
IUPHAR	N/A
BindingDB	50421728
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	9.29 -	PMID2836587	ChEMBL
-Log KD	6.55 -	PMID2993621	ChEMBL
cAMP production	83.0 pM min-1 mg-1	PMID2870189	ChEMBL
Concentration	3.0 M	PMID2870189	ChEMBL
ISA	0.68 -	PMID2870189	ChEMBL
Kd	600.0 nM	PMID2993621	BindingDB,ChEMBL
Kd	670.0 nM	PMID2870189	BindingDB
KD app	0.67 uM	PMID2870189	ChEMBL

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