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GLASS

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GPCR

Name	Alpha-1A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1A
Synonym	alpha1a ADRA1C ADRA1L1 adrenergic alpha 1c receptor adrenergic receptor alpha 1c adrenergic receptor, alpha 1a alpha 1A-adrenoceptor alpha 1A-adrenoreceptor alpha1c alpha 1C-adrenergic receptor alpha-1A adrenergic receptor Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor Alpha-adrenergic receptor 1c alpha1A-adrenoceptor [ Show all ]
Disease	Urinary incontinence Benign prostatic hyperplasia Cognitive disorders Female sexual dysfunction Glaucoma Hypertension Major depressive disorder Pain Post-traumatic stress disorder Prostate cancer; Benign prostatic hyperplasia Prostate disease Prostate hyperplasia Stress urinary incontinence Unspecified [ Show all ]
Length	466
Amino acid sequence	MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
UniProt	P35348
Protein Data Bank	N/A
GPCR-HGmod model	P35348
3D structure model	This predicted structure model is from GPCR-EXP P35348.
BioLiP	N/A
Therapeutic Target Database	T92609
ChEMBL	CHEMBL229
IUPHAR	22
DrugBank	BE0000501

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	2-amino-1-(2',5'-dimethoxyphenyl) ethanol 52047-77-5 AKOS016842856 FT-0674660 SCHEMBL476432 ST50407701 (+/-)-2-amino-1-(2,5-dimethoxyphenyl)ethanol 2-amino-1-(2,5-dimethoxyphenyl)ethan-1-ol AB01002492-01 BDBM50118702 DB-027711 Midodrine Related Compound A (Desglymidodrine) Z380844680 2,5-Dimethoxy-beta-hydroxyphenethylamine AC1Q4872 C21521 DESGLYMIDODRINE Orvaten (+-)-2-amino-1-(2,5-dimethoxyphenyl)ethanol 2-amino-1-(2',5'-dimethoxyphenyl)ethanol 600A871 alpha-(Aminomethyl)-2,5-dimethoxybenzenemethanol CHEMBL1076 KB-19462 ST 1059 TC-146150 1-(2',5'-dimethoxyphenyl)-2-aminoethanol 2-amino-1-(2,5-dimethoxyphenyl)ethanol AC1L29I0 Benzenemethanol, a-(aminomethyl)-2,5-dimethoxy- de-glymidodrine MolPort-001-793-604 2-Amino-(2,5-dimethoxyphenyl)ethanol AKOS000123871 CHEBI:73248 EN300-36742 rac-2-amino-1-(2,5-dimethoxyphenyl)ethanol ST-1059 (+/-)-2-Amino-1-(2, 5 dimethoxyphenyl) ethanol 2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol 60407-53-6 (hydrochloride) ANW-57405 CTK4H5735 MCULE-6688431628 VFRCNXKYZVQYLX-UHFFFAOYSA-N 1-(2',5'-Dimethoxyphenyl)aminoethanol 2-Amino-1-(2,5-dimethoxyphenyl)ethanol, AldrichCPR AC1Q4871 Benzyl alcohol, alpha-(aminomethyl)-2,5-dimethoxy- Deglymidodrine NE21743 [ 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
EC50	7100.0 nM	PMID12238918	BindingDB,ChEMBL

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