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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	prazosin
Molecular formula	C19H21N5O4
IUPAC name	[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
Molecular weight	383.408
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.0
Synonyms	HSDB 3298 1-(4-amino-6,7-dimethoxy-2-quinazolinyl-4-(2-furanylcarbonyl)) piperrazine KBio1_000375 2-[4-(Furan-2-Ylcarbonyl)piperazin-1-Yl]-6,7-Dimethoxyquinazolin-4-Amine KBio3_000732 AB00053528 Lentopres AN-18022 NCGC00016740-02 Bio2_000358 NCGC00016740-10 BSPBio_001036 NCGC00024324-02 CHEMBL2 NCI60_002417 DivK1c_000375 Piperazine,1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl)-(9CI) GTPL503 (4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl)(furan-2-yl)methanone Tox21_113646_1 [3H]-Furazosin [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone Prazosina Prestwick1_000947 SMP1_000063 Spectrum_000822 1-(3-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanyl-carbonyl)piperazine hydrochloride IDI1_000375 2-(4-(2-Furoyl)piperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline KBio2_002944 KBioGR_000965 AB00053528_21 Minipress BCP14556 NCGC00016740-05 BRD-K49111258-001-02-8 NCGC00016740-13 C19H21N5O4 NCGC00024324-06 CTK7A0338 Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl)- DSSTox_RID_83272 HMS1362D17 STK301545 W-107722 [3H]-Prazosin Prazosine [INN-French] Quinazoline, 4-amino-6,7-dimethoxy-2-(4-(2-furoyl)piperazin-1-yl)- SPBio_003073 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furoyl)piperazine Justac 2-[4-(2-furoyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine KBio2_006438 KS-00002WRN AKOS000310009 MolPort-000-891-036 Bio1_000854 NCGC00016740-08 BRN 0768345 NCGC00016740-18 CHEBI:8364 NCGC00024324-09 Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furoyl)- (8CI) FT-0630457 HMS2089G09 Tocris-0623 Z275127478 [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(2-furyl)methanone Prazosin [INN:BAN] Pressin SBI-0051487.P003 Spectrum4_000483 HY-B0193 19216-56-9 KBio2_000376 2-{4-[(furan-2-yl)carbonyl]piperazin-1-yl}-6,7-dimethoxyquinazolin-4-amine KBio3_001721 AB00053528-19 LS-140002 BBL028799 NCGC00016740-03 Bio2_000838 NCGC00016740-11 BSPBio_002221 NCGC00024324-04 CP-12299 NINDS_000375 DSSTox_CID_29008 Prazocin GTPL5385 UNII-XM03YJ541D [3H]-Minipress [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-furan-2-ylmethanone Prazosina [INN-Spanish] Prestwick2_000947 SMR001550197 ST075549 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl) piperazine IDI1_002113 2-[4-(2-Furoyl)-1-piperazinyl]-6,7-dimethoxy-4-quinazolinamine # KBio2_003870 4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazinyl 2-furyl ketone KBioSS_000376 AC1L1J6T Minipress (TN) BDBM29568 NCGC00016740-06 BRD-K49111258-003-05-7 NCGC00016740-14 CAS-19216-56-9 NCGC00024324-07 D08411 Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl)- (9CI) DTXSID4049082 HMS1792D17 TL8001573 XM03YJ541D [3H]prazosin Prazosinum SB17351 Spectrum2_001289 HMS3403D17 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)4-(2-furoyl)piperazine KB-207710 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine KBio3_000731 6,7-dimethoxy-4-amino-2-[4-(2-furoyl)piperazin-1-yl]quinazoline L000666 AN-15618 NCGC00016740-01 Bio1_001343 NCGC00016740-09 BSPBio_000914 NCGC00016740-19 NCGC00024324-10 DB00457 Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furoyl)-(8CI) Furazosin (4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)-piperazin-1-yl)(furan-2-yl)methanone Tox21_113646 ZINC95616601 [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl](furan-2-yl)methanone PRAZOSIN, Prazosin Hydrochloride Prestwick0_000947 SCHEMBL26524 Spectrum5_001365 Hypovase (TN) 2-(4-(2-FUROYL)-1-PIPERAZINYL)-6,7-DIMETHOXY-4-QUINAZOLINAMINE KBio2_001302 237P844 KBioGR_000376 AB00053528_20 MCULE-8104643269 BCBcMAP01_000227 NCGC00016740-04 BPBio1_001006 NCGC00016740-12 C07368 NCGC00024324-05 CS-2088 Oprea1_314778 DSSTox_GSID_49082 H961 1-(3-Amino-6,7-dimethoxy-2- quinazolinyl)-4-(2-furanyl-carbonyl)piperazine hydrochloride Vasoflex (TN) [3H]-Pratsiol Prazosine Prestwick3_000947 SPBio_001297 ST24038261 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl)piperazine IENZQIKPVFGBNW-UHFFFAOYSA-N 2-[4-(2-Furoyl)piperazin-1-yl]-4-amino-6,7-dimethoxyquinazoline KBio2_005512 5-25-13-00365 (Beilstein Handbook Reference) KBioSS_001302 AF-0052 MLS006011888 Bio1_000365 NCGC00016740-07 BRD-K49111258-003-16-4 NCGC00016740-15 CAS-19237-84-4 NCGC00024324-08 D0WV3U Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furoyl)- EINECS 242-885-8 HMS1990D17 TNP00312 XRA [4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](2-furyl)methanone Prazosin (INN) Prazosinum [INN-Latin] SBB032268 Spectrum3_000551 [ Show all ]
Inchi Key	IENZQIKPVFGBNW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21N5O4/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/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
PubChem CID	4893
ChEMBL	CHEMBL2
IUPHAR	503
BindingDB	29568
DrugBank	DB00457
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
Ke	1.1 nM	PMID21900013, PMID24630561	ChEMBL
Ke(app)	1.1 nM	PMID26475518	ChEMBL
Ki	0.03 nM	PMID7815325	BindingDB
Ki	0.04 nM	PMID25557493, PMID24805037	BindingDB
Ki	0.04 nM	PMID25557493, PMID24805037	ChEMBL
Ki	0.06 nM	PMID10611634	PDSP,BindingDB
Ki	0.09 nM	PMID6149136	BindingDB
Ki	0.11 nM	PMID7855217	BindingDB
Ki	0.12 nM	PMID7815325	BindingDB
Ki	0.125893 - 1.0 nM	PMID9249248, PMID7651358, PMID9490024, PMID10369480, PMID10334511	IUPHAR
Ki	0.1995 nM	PMID9135028	ChEMBL
Ki	0.2 nM	PMID16420037	BindingDB
Ki	0.21 nM	PMID8396931	BindingDB
Ki	0.27 nM	PMID7752182	BindingDB,ChEMBL
Ki	0.28 nM	PMID11132243	BindingDB
Ki	0.31 nM	PMID7815325	BindingDB
Ki	0.32 nM	PMID16420037	BindingDB
Ki	0.39 nM	PMID9548811	BindingDB,ChEMBL
Ki	0.51 nM	PMID7658428	BindingDB,ChEMBL
Ki	0.58 nM	PMID10522703	BindingDB
Ki	0.58 nM	PMID9857099, PMID9888842, PMID10522703	BindingDB,ChEMBL
Ki	0.588 nM	Med Chem Res, (2011) 20:9:1455	ChEMBL
Ki	0.5888 nM	PMID15633998, PMID14584940, Med Chem Res, (2011) 20:9:1455, PMID9822553	ChEMBL
Ki	0.59 nM	PMID24365159	ChEMBL
Ki	0.6 nM	PMID10579841	BindingDB,ChEMBL
Ki	0.61 nM	PMID11448222	BindingDB,ChEMBL
Ki	0.69 nM	PMID12065700	BindingDB
Ki	0.691831 nM	PMID12065700	PDSP
Ki	1.862 nM	PMID24365159	ChEMBL
Selectivity	0.0057 -	PMID6133953	ChEMBL

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