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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-1 adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adrb1
Synonym	adrenergic receptor beta1-adrenoceptor Beta-1 adrenoreceptor Beta-1 adrenoceptor beta-1 adrenergic receptor ADRB1R beta 1-AR B1AR Adrenergic receptor beta 1 Adrb-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MGAGALALGASEPCNLSSAAPLPDGAATAARLLVLASPPASLLPPASEGSAPLSQQWTAGMGLLLALIVLLIVVGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITLPFRYQSLLTRARARALVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLTGPPRPPSPAPSPSPGPPRPADSLANGRSSKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAACRRRAAHGDRPRASGCLARAGPPPSPGAPSDDDDDDAGATPPARLLEPWAGCNGGTTTVDSDSSLDEPGRQGFSSESKV
UniProt	P18090
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	CHEMBL3252
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	UNII-42FZ27IZLV
Molecular formula	C19H22ClNO4
IUPAC name	2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid
Molecular weight	363.838
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	0.9
Synonyms	(4-((2R)-2-(((2R)-2-(3-Chlorophenyl)-2-hydroxyethyl)amino}propyl)phenoxy)acetic acid 2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydroxyethylamino)propyl)phenoxy)acetic acid BDBM50002133 CHEMBL284782 ZINC3871771 (4-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid Brl-37344 SB 206606 116049-78-6 Acetic acid, (4-(2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)- CHEBI:131180 (4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid 2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid BRD-K07507905-236-01-8 D0Y1PG (BRL 37,344)(4-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid BRL-44092 SB-206606 (+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydroxyethylamino)propyl)phenoxy)acetic acid 2-(4-((2R)-2-(((2R)-2-(3-Chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)acetic acid Acetic acid, 2-(4-((2R)-2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)- UNII-5DZZ1926YW component ZGGNJJJYUVRADP-ACJLOTCBSA-N (4-{2-[(R)-2-((R)-3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid 42FZ27IZLV BRL 37344 GTPL567 (R, R) (4-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid Acetic acid, (4-((2R)-2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)- BRL37344 SCHEMBL304308 [ Show all ]
Inchi Key	ZGGNJJJYUVRADP-ACJLOTCBSA-N
Inchi ID	InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
PubChem CID	9841972
ChEMBL	CHEMBL284782
IUPHAR	567
BindingDB	50002133
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 EC20	6.92 -	PMID11311067	ChEMBL
EC20	120.0 nM	PMID12502364	ChEMBL
IC50	190.0 nM	PMID1354264	BindingDB,ChEMBL
IC50	3300.0 nM	PMID1354264	BindingDB,ChEMBL
pEC20	6.92 -	PMID12502364	ChEMBL

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