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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	Cyanopindolol
Molecular formula	C16H21N3O2
IUPAC name	4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile
Molecular weight	287.363
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	2.0
Synonyms	BRD-A47884604-001-01-7 CYANOPINDOLOL(+/-) PDSP1_001094 69906-85-0 L000210 PDSP2_001585 (-)-Cyanopindolol AC1L4E3D NSC707473 SR-01000597973 1H-Indole-2-carbonitrile, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)- CAS_155346 D0X8ZA PDSP1_001601 (+-)-Cyanopindolol 81089-45-4 CHEMBL378501 NCI60_038172 RT-012114 BDBM81499 CYANOPINDOLOL HEMIFUMARATE NSC_155346 SR-01000597973-1 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile CHEBI:125406 GTPL132 PDSP2_001078 (+/-)4-(3-t-butylamino-2-hydroxypropoxy)-1h-indole-2-carbonitrile CTK8E9328 NSC-707473 SCHEMBL353756 [ Show all ]
Inchi Key	QXIUMMLTJVHILT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-7,12,18-20H,9-10H2,1-3H3
PubChem CID	155346
ChEMBL	CHEMBL378501
IUPHAR	132
BindingDB	81499
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	0.03981 nM	PMID16759089	ChEMBL
Ki	0.05012 nM	PMID16759089	ChEMBL
Ki	0.1259 nM	PMID16759089	ChEMBL
Ki	0.3162 nM	PMID16759089	ChEMBL
Ki	316.23 nM	PMID16759089	ChEMBL

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