Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

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 ●DMFold ●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

GLASS

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	Bos taurus (Bovine)
Gene	ADRA1A
Synonym	Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVFLSGNASDSSNCTHPPPPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNVWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQKRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLTIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAQVGGSGVTSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFRPSETVFKIAFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRKQSSKHTLGYTLHAPSHVLEGQHKDLVRIPVGSAETFYKISKTDGVCEWKIFSSLPRGSARMAVARDPSACTTARVRSKSFLQVCCCLGPSTPSHGENHQIPTIKIHTISLSENGEEV
UniProt	P18130
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	CHEMBL4892
IUPHAR	N/A
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	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 MCULE-8104643269 BCBcMAP01_000227 NCGC00016740-04 BPBio1_001006 Prazosine Prestwick3_000947 SPBio_001297 ST24038261 Vasoflex (TN) [3H]-Pratsiol 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 MLS006011888 Bio1_000365 NCGC00016740-07 Prazosin (INN) Prazosinum [INN-Latin] SBB032268 Spectrum3_000551 TNP00312 XRA [4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](2-furyl)methanone 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 AN-18022 NCGC00016740-02 Bio2_000358 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 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 Minipress BCP14556 NCGC00016740-05 BRD-K49111258-001-02-8 Prazosine [INN-French] Quinazoline, 4-amino-6,7-dimethoxy-2-(4-(2-furoyl)piperazin-1-yl)- SPBio_003073 STK301545 W-107722 [3H]-Prazosin 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 MolPort-000-891-036 Bio1_000854 NCGC00016740-08 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 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 BBL028799 NCGC00016740-03 Bio2_000838 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 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 Minipress (TN) BDBM29568 NCGC00016740-06 Prazosinum SB17351 Spectrum2_001289 TL8001573 XM03YJ541D [3H]prazosin 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 AN-15618 NCGC00016740-01 Bio1_001343 NCGC00016740-09 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 [ 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
Ki	0.125893 nM	PMID9276013	BindingDB
Ki	0.1259 nM	PMID9276013	ChEMBL
Ki	0.17 nM	PMID7658428	BindingDB,ChEMBL
Ki	0.37 nM	PMID1706716	BindingDB
Ki	0.7244 nM	PMID8917649	ChEMBL
Ki	0.93 nM	PMID12519065	BindingDB
Ki	0.93 nM	PMID12519065	ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218