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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	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 N-tert-butyl-2-(3,4-dihydroxyphenyl)-2-hydroxyethylamine 1,2-Benzenediol, 4-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]- ACM18866789 Colterolum 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 S 1541 18866-78-9 BDBM50421728 Colterolum [INN-Latin] 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] [ 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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