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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	TAMSULOSIN
Molecular formula	C20H28N2O5S
IUPAC name	5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
Molecular weight	408.513
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.7
Synonyms	EBD36303 GTPL488 MLS006011810 (r)-(-)-tamsulosin SMR004703489 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide Tamsulosinum [INN-Latin] 814-EP2305254A1 AJ-26680 BDBM50060964 CS-2896 Flomaxtra (TN) HSDB 7744 NCGC00167442-02 (r)-5-(2-(2-(2-ethoxyphenoxy)ethylamino)propyl)-2-methoxybenzenesulfonamide ST24035500 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide Tamsulosina 814-EP2269989A1 YM-617 A835382 Amsulosin C07124 D08560 FT-0601581 KS-00000L19 (-)-Tamsulosin RT-024223 106133-20-4 Tamsulon 5-[(2R)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-methoxybenzenesulfonamide Tamsulosine [INN-French] 814-EP2295427A1 AC1L2V76 API0010078 CHEMBL836 DRHKJLXJIQTDTD-OAHLLOKOSA-N Flomax Harnal-D MolPort-003-850-388 (R)-5-(2-((2-(2-Ethoxyphenoxy)ethyl)amino)-propyl)-2-methoxybenzenesulfonamide SR-05000001519 5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide Tamsulosin (INN) 5-{(2R)-2-[(2-{[2-(ethyloxy)phenyl]oxy}ethyl)amino]propyl}-2-(methyloxy)benzenesulfonamide UNII-G3P28OML5I 814-EP2314587A1 AK-78696 Benzenesulfonamide, 5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxy-, (R)- CTK8B7795 Flowmax HY-B0661 PubChem21320 (r)-5-[2-[[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxy-benzenesulfonamide STK626950 5-[(2R)-2-[[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzene-sulfonamide Tamsulosina [INN-Spanish] 814-EP2270011A1 ZINC1530694 AB01275521-01 AN-10808 CHEBI:9398 DTXSID3023631 G3P28OML5I LS-31578 (-)-YM617 SCHEMBL34378 133T204 Tamsulon (TN) 5-[(2S)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide Tamsulosinum 814-EP2298767A1 ACT02653 AX8041134 Contiflo OD Flomax (TN) HMS2090P15 NCGC00167442-01 (R)-5-(2-((2-(2-Ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide SR-05000001519-1 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide Tamsulosin [INN:BAN] Urimax (TN) A801388 AKOS005266643 BIDD:GT0261 D05MBZ FT-0082894 KB-210214 Q-101875 (r)-tamsulosin Tamsolusin 5-[(2R)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-methoxybenzene-1-sulfonamide Tamsulosine 814-EP2295426A1 AB1008589 ANW-58646 DB00706 [ Show all ]
Inchi Key	DRHKJLXJIQTDTD-OAHLLOKOSA-N
Inchi ID	InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
PubChem CID	129211
ChEMBL	CHEMBL836
IUPHAR	488
BindingDB	50060964
DrugBank	DB00706
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
EC50	0.07 nM	PMID27658792	BindingDB
EC50	0.07 nM	PMID27658792	ChEMBL
IC50	2.2 nM	PMID27709945	BindingDB,ChEMBL
Inhibition	100.0 %	PMID27709945	ChEMBL
Kd	0.288 nM	PMID9379432	BindingDB
Kd	0.2884 nM	PMID9379432, PMID11384242	ChEMBL
Ki	0.0199526 - 0.1 nM	PMID9249248, PMID7651358, PMID9490024, PMID10369480, PMID10334511	IUPHAR
Ki	0.029 nM	PMID11805207, PMID9379432	BindingDB,ChEMBL
Ki	0.0501 nM	PMID20934789	BindingDB
Ki	0.05012 nM	PMID20934789	ChEMBL
Ki	0.13 nM	PMID10841797	BindingDB,ChEMBL
Ki	0.19 nM	PMID17517507, PMID17452102, PMID18055202	BindingDB,ChEMBL
Ki	0.1995 nM	PMID9135028	ChEMBL
Ki	0.2 nM	PMID15664832	BindingDB,ChEMBL
Ki	3.981 nM	PMID9135028	ChEMBL
Ratio	1.0 -	PMID10841797	ChEMBL

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