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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-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	GR 113808
Molecular formula	C19H27N3O4S
IUPAC name	[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 1-methylindole-3-carboxylate
Molecular weight	393.502
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	1.7
Synonyms	BRD-K49945136-001-03-5 EU-0100282 HMS2233H10 LP00282 NCGC00015477-04 PDSP1_001699 SR-01000075757-1 [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 1-methylindole-3-carboxylate (1-(2-(Methylsulfonylamino)ethyl)-4-piperidinyl)methyl 1-methyl-1H-indole-3-carboxylate GR 113808, >=98% (HPLC), solid HMS3374F10 MLS000862181 NCGC00025110-02 PDSP2_001682 Tox21_500282 1-Methyl-1H-indole-3-carboxylic acid, [1-[2-[(methylsulfonyl)amino]ethyl]-4-piperidinyl]methyl ester AC1L3OP5 BDBM29525 D08JLW GR113808 Lopac-G-5918 NCGC00015477-02 PDSP1_000842 SMR000326944 ZT350OYT3I 144625-51-4 CCG-204377 G 5918 HMS3260J06 LS-173222 NCGC00015477-05 PDSP2_000829 SR-01000075757-3 [3H] GR 113808 (1-{2-[(methylsulfonyl)amino]ethyl}piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate AKOS024456527 CHEMBL33884 GR-113,808 J-007977 MolPort-003-941-514 NCGC00025110-03 RT-013114 UNII-ZT350OYT3I 1-methyl-1H-indole-3-carboxylicacid,[1-[2-[(methylsulfonyl)amino]ethyl]-4-piperidinyl]methylester BN0621 DTXSID40162772 GTPL247 Lopac0_000282 NCGC00015477-03 PDSP1_001621 SR-01000075757 [1-(2-methanesulfonamidoethyl)piperidin-4-yl]methyl 1-methylindole-3-carboxylate (1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate 1H-Indole-3-carboxylic acid, 1-methyl-, (1-(2-((methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl ester CHEBI:73380 HMS3267N17 MFCD00912901 NCGC00025110-01 PDSP2_001605 Tocris-1322 [3H]GR113808 3H-GR113808 B6688 CTK8E9846 GR-113808 L000649 NCGC00015477-01 NCGC00260967-01 SCHEMBL1502039 ZINC598220 1-[2-[(Methylsulfonyl)-amino]ethyl]-4-piperidinyl]methyl 1-methyl-1H-indole-3-carboxylate [ Show all ]
Inchi Key	MOZPSIXKYJUTKI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
PubChem CID	119376
ChEMBL	CHEMBL33884
IUPHAR	247
BindingDB	29525
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	7943.28 nM	PMID8012715	BindingDB

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