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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	Alpha-1B adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1B
Synonym	alpha1B-adrenoceptor alpha1B-adrenergic receptor Alpha-1B adrenoreceptor Alpha-1B adrenoceptor alpha 1B-adrenoreceptor alpha 1B-adrenoceptor adrenergic receptor adrenergic alpha 1B receptor [ Show all ]
Disease	Psychiatric disorder Hypertension Exogenous obesity Attention deficit hyperactivity disorder
Length	520
Amino acid sequence	MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFVRILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRTLPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLTEPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF
UniProt	P35368
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T29500
ChEMBL	CHEMBL232
IUPHAR	23
DrugBank	BE0000575

Ligand

Name	3600-87-1
Molecular formula	C10H15NO3
IUPAC name	2-amino-1-(2,5-dimethoxyphenyl)ethanol
Molecular weight	197.234
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	0.1
Synonyms	AC1Q4872 C21521 DESGLYMIDODRINE Orvaten Z380844680 2,5-Dimethoxy-beta-hydroxyphenethylamine 2-amino-1-(2',5'-dimethoxyphenyl)ethanol 600A871 alpha-(Aminomethyl)-2,5-dimethoxybenzenemethanol CHEMBL1076 KB-19462 ST 1059 (+-)-2-amino-1-(2,5-dimethoxyphenyl)ethanol 2-amino-1-(2,5-dimethoxyphenyl)ethanol AC1L29I0 Benzenemethanol, a-(aminomethyl)-2,5-dimethoxy- de-glymidodrine MolPort-001-793-604 TC-146150 1-(2',5'-dimethoxyphenyl)-2-aminoethanol 2-Amino-(2,5-dimethoxyphenyl)ethanol AKOS000123871 CHEBI:73248 EN300-36742 rac-2-amino-1-(2,5-dimethoxyphenyl)ethanol 2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol 60407-53-6 (hydrochloride) ANW-57405 CTK4H5735 MCULE-6688431628 ST-1059 (+/-)-2-Amino-1-(2, 5 dimethoxyphenyl) ethanol 2-Amino-1-(2,5-dimethoxyphenyl)ethanol, AldrichCPR AC1Q4871 Benzyl alcohol, alpha-(aminomethyl)-2,5-dimethoxy- Deglymidodrine NE21743 VFRCNXKYZVQYLX-UHFFFAOYSA-N 1-(2',5'-Dimethoxyphenyl)aminoethanol 2-amino-1-(2',5'-dimethoxyphenyl) ethanol 52047-77-5 AKOS016842856 FT-0674660 SCHEMBL476432 2-amino-1-(2,5-dimethoxyphenyl)ethan-1-ol AB01002492-01 BDBM50118702 DB-027711 Midodrine Related Compound A (Desglymidodrine) ST50407701 (+/-)-2-amino-1-(2,5-dimethoxyphenyl)ethanol [ Show all ]
Inchi Key	VFRCNXKYZVQYLX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
PubChem CID	43260
ChEMBL	CHEMBL1076
IUPHAR	N/A
BindingDB	50118702
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	6900.0 nM	PMID12238918	BindingDB

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