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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	terazosin
Molecular formula	C19H25N5O4
IUPAC name	[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
Molecular weight	387.44
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	1.4
Synonyms	Opera_ID_1910 SCHEMBL6528 63074-08-8 (hydrochloride) terazosin a AC-11120 Terazosinum [INN-Latin] BRD-A22256192-003-03-7 [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone CHEMBL611 Flumarc HMS3369P14 Lopac0_001138 MLS006011889 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-tetrahydrofuroyl)piperazine 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)4-[(tetrahydro-2-furanyl)carbonyl]piperazine Prestwick1_000751 6,7-dimethoxy-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3,4-dihydroquinazolin-4-imine STK567029 Terazosina AN-38972 Vasomet C07127 D08569 GTPL7302 Hytracin MET029 NCGC00016026-04 NCGC00016026-11 141269-45-6 REGID_for_CID_5401 6,7-dimethoxy-2-[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]quinazolin-4-amine Abbott 45975 Terazosine [INN-French] Blavin [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-tetrahydrofuran-2-yl-methanone CHEBI:9445 DB01162 HMS2232N21 KB-147102 MLS000069703 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetrahydro-2-furanyl)carbonyl)piperazine 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(tetrahydro-2-furoyl)piperazine Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetrahydro-2-furanyl)carbonyl)- 590T647 SMR000058309 63590-64-7 Terazosin HCl AC1L1K9W Trazosin HCl BRD-A22256192-003-14-4 CPD000058309 Fosfomic HMS3371E20 LS-110234 MolPort-001-684-489 1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-[[(2RS)-2,3,4,5-tetrahydrofuran-2-yl]carbonyl]piperazine Prestwick2_000751 6,7-dimethoxy-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinazolin-4-amine Terazosabb A 45975 Terazosina [INN-Spanish] BBL010743 VCKUSRYTPJJLNI-UHFFFAOYSA-N C19H25N5O4 D0P9RF H963 Hytrin Methanone, [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](tetrahydro-2-furanyl)- (4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl)(tetrahydrofuran-2-yl)methanone NCGC00016026-05 NCGC00025191-03 4097AH SAM002589982 6,7-dimethoxy-2-{4-[(oxolan-2-yl)carbonyl]piperazin-1-yl}quinazolin-4-amine Terazosin (INN) Abbott-45975 Terazosinum BPBio1_000840 [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl](tetrahydrofuran-2-yl)methanone DTXSID3023639 HMS3259F04 L000692 MLS001201836 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-tetrahydrofuroyl)-piperazine 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-[(tetrahydro-2-furanyl)carbonyl]piperazine Prestwick0_000751 6,7-bis(methyloxy)-2-[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]quinazolin-4-amine SPBio_002701 70024-40-7 (mono-hydrochloride, dihydrate) Terazosin [INN:BAN] AKOS005266642 VA11839 BSPBio_000762 CS-2429 FT-0630739 HY-B0371 MCULE-4030111564 NC00689 NCGC00016026-08 141269-44-5 Prestwick3_000751 6,7-Dimethoxy-2-[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]-4-quinazolinamine # Terazosabb (TN) A-45975 Terazosine BDBM50033111 Z1172269406 CCG-205212 HMS2090P21 Hytrin (TN) MFCD00467965 [ Show all ]
Inchi Key	VCKUSRYTPJJLNI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
PubChem CID	5401
ChEMBL	CHEMBL611
IUPHAR	7302
BindingDB	50033111
DrugBank	DB01162
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	0.5 nM	PMID25813897	ChEMBL
EC50	0.5 nM	PMID25813897	BindingDB
EC50	1.7 nM	PMID27658792	BindingDB
EC50	1.73 nM	PMID27658792	ChEMBL
Ki	1.14815 nM	PMID11805207	PDSP
Ki	1.15 nM	PMID11805207	BindingDB
Ki	1.2 nM	PMID9873563, PMID9548811	BindingDB,ChEMBL
Ki	1.9 nM	PMID10579840, PMID10579842	BindingDB,ChEMBL
Ki	1.95 nM	PMID9651170	ChEMBL
Ki	2.2 nM	PMID7658428	ChEMBL
Ki	2.512 nM	PMID9135028	ChEMBL
Ki	2.6 nM	PMID7752182	BindingDB,ChEMBL
Ki	2.68 nM	PMID9379432	IUPHAR
Ki	2.68 nM	PMID9379432	BindingDB,ChEMBL
Ki	30.0 nM	PMID7658428	BindingDB,ChEMBL

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