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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	Mesocricetus auratus (Golden hamster)
Gene	ADRB2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGPPGNDSDFLLTTNGSHVPDHDVTEERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYIAITSPFKYQSLLTKNKARMVILMVWIVSGLTSFLPIQMHWYRATHQKAIDCYHKETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHSPNLGQVEQDGRSGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKAYGNGYSSNSNGKTDYMGEASGCQLGQEKESERLCEDPPGTESFVNCQGTVPSLSLDSQGRNCSTNDSPL
UniProt	P04274
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	CHEMBL5943
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	LEVISOPRENALINE
Molecular formula	C11H17NO3
IUPAC name	4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
Molecular weight	211.261
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	-0.6
Synonyms	(-)-Isoproterenol 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, (R)- 5FW Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)-, (-)- L-Isopropylnorepinephrine Levisoprenalinum [INN-Latin] NCGC00016665-01 SCHEMBL250806 (R)-(-)-Isoproterenol 4-[(1R)-1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol AC1Q1Q9S BSPBio_001174 Isopropyl norepinephrine Levisoprenalina Lopac-I-6504 NCGC00025274-01 UNII-L628TT009W component JWZZKOKVBUJMES-NSHDSACASA-N (-)-alpha-(Isopropylaminomethyl)protocatechuyl alcohol (R)-Isoproterenol 51-31-0 BDBM50407517 CCG-204758 l-Isoprenaline Levisoprenaline [INN:DCF] NCGC00015558-02 Prestwick3_001097 (-)-Isoproterenol hydrochloride 110537-43-4 AB00514693 BPBio1_001292 CHEMBL1160723 l-Isoproterenol Levoisoproterenol NCGC00016665-03 Tocris-1747 (R)-(-)-Isoproterenol, crystalline 4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol AC1Q1Q9T C11703 Isoproterenol, L- Levisoprenalina [INN-Spanish] Lopac0_000672 PDSP1_001116 ZINC56652 (-)-Isoprenaline 1,2-Benzenediol, 4-((1R)-1-hydroxy-2-((1-methylethyl)amino)ethyl)- 588N0603CT Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamin)methyl)-, (-)- CHEBI:6257 l-Isopropylnoradrenaline Levisoprenalinum NCGC00015558-03 Proternol L (-)-N-Isopropylnoradrenaline 137-95-1 AC1L9EJH BRN 3203136 DTXSID2043878 Levisoprenalin Lopac-I-5627 NCGC00016665-04 UNII-588N0603CT (R)-Isoprenaline ACM51310 CAS-5984-95-2 L-(-)-Isoproterenol NCGC00015558-01 PDSP2_001100 [ Show all ]
Inchi Key	JWZZKOKVBUJMES-NSHDSACASA-N
Inchi ID	InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1
PubChem CID	443372
ChEMBL	CHEMBL1160723
IUPHAR	N/A
BindingDB	50407517
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	20.0 nM	PMID18783211	ChEMBL
Ki	136.0 nM	PMID18783211	ChEMBL
Ratio	6.8 -	PMID18783211	ChEMBL

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