Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL319
IUPHAR	22
DrugBank	N/A

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	Prazosinum SB17351 Spectrum2_001289 TL8001573 XM03YJ541D [3H]prazosin 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 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 PRAZOSIN, Prazosin Hydrochloride Prestwick0_000947 SCHEMBL26524 Spectrum5_001365 Tox21_113646 ZINC95616601 [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl](furan-2-yl)methanone 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 Hypovase (TN) 2-(4-(2-FUROYL)-1-PIPERAZINYL)-6,7-DIMETHOXY-4-QUINAZOLINAMINE KBio2_001302 237P844 KBioGR_000376 AB00053528_20 Prazosine Prestwick3_000947 SPBio_001297 ST24038261 Vasoflex (TN) [3H]-Pratsiol 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 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 Prazosin (INN) Prazosinum [INN-Latin] SBB032268 Spectrum3_000551 TNP00312 XRA [4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](2-furyl)methanone 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 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 Prazosina Prestwick1_000947 SMP1_000063 Spectrum_000822 Tox21_113646_1 [3H]-Furazosin [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone 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 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 Prazosine [INN-French] Quinazoline, 4-amino-6,7-dimethoxy-2-(4-(2-furoyl)piperazin-1-yl)- SPBio_003073 STK301545 W-107722 [3H]-Prazosin 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 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 Prazosin [INN:BAN] Pressin SBI-0051487.P003 Spectrum4_000483 Tocris-0623 Z275127478 [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(2-furyl)methanone BBL028799 NCGC00016740-03 Bio2_000838 NCGC00016740-11 BSPBio_002221 NCGC00024324-04 CP-12299 NINDS_000375 DSSTox_CID_29008 Prazocin GTPL5385 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 Prazosina [INN-Spanish] Prestwick2_000947 SMR001550197 ST075549 UNII-XM03YJ541D [3H]-Minipress [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-furan-2-ylmethanone 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 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 [ 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
IC50	0.218 nM	DrugMatrix in vitro pharmacology data	ChEMBL
IC50	0.254 nM	PMID19788200	BindingDB
IC50	0.69 nM	PMID23403082	ChEMBL
Inhibition	5.0 %	PMID23403082	ChEMBL
Kd	0.1549 nM	PMID8523408	ChEMBL
Kd	0.155 nM	PMID8523408	BindingDB
Kd	1.047 nM	PMID15633998	ChEMBL
Kd	1.05 nM	PMID15633998	BindingDB
Kd	2.51 nM	PMID9822553	BindingDB
Kd	2.512 nM	PMID9871765, PMID9822553	ChEMBL
Ki	<10000.0 nM	PMID8386236	BindingDB
Ki	0.01 nM	PMID2885412	BindingDB
Ki	0.02 nM	PMID2885412	BindingDB
Ki	0.07 nM	PMID7815325, PMID10602703	BindingDB,ChEMBL
Ki	0.088 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	0.12 nM	PMID10611634	BindingDB
Ki	0.23 nM	PMID16723224	BindingDB,ChEMBL
Ki	0.28 nM	PMID23403082	ChEMBL
Ki	0.3 nM	PMID9548811	BindingDB,ChEMBL
Ki	0.31 nM	PMID6144048	BindingDB
Ki	0.316228 nM	PMID11331292	IUPHAR
Ki	0.33 nM	PMID1706716	BindingDB
Ki	0.9333 nM	PMID8917649	ChEMBL
Ki	1.05 nM	PMID9572880	BindingDB,ChEMBL
Ki	5710.0 nM	PMID2531826	BindingDB
pKB	8.93 -	PMID14584940	ChEMBL
pKb	8.99 -	PMID11462977	ChEMBL

zhanglab

zhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417