Zhang Lab

National University of Singapore

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 ●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	5-hydroxytryptamine receptor 2A
Species	Sus scrofa (Pig)
Gene	HTR2A
Synonym	5-HT-2 5-HT-2A 5-HT2A Serotonin receptor 2A
Disease	N/A for non-human GPCRs
Length	470
Amino acid sequence	MDVLCEENTSLSSPTNSFMQLNDDTRLYHNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPPCFSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHRRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQTGQKENSKQDDKATENDCTMVALGKQHSEDAPADNSNTVNEKVSCV
UniProt	P50129
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	CHEMBL2490
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	NCGC00016740-04 W-107722 BPBio1_001006 NCGC00016740-12 [3H]-Prazosin 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) Prazosine [INN-French] 2-(4-(2-FUROYL)-1-PIPERAZINYL)-6,7-DIMETHOXY-4-QUINAZOLINAMINE KBio2_001302 Quinazoline, 4-amino-6,7-dimethoxy-2-(4-(2-furoyl)piperazin-1-yl)- 237P844 KBioGR_000376 SPBio_003073 AB00053528_20 MCULE-8104643269 STK301545 BCBcMAP01_000227 Bio1_000365 NCGC00016740-07 Z275127478 BRD-K49111258-003-16-4 NCGC00016740-15 [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(2-furyl)methanone CAS-19237-84-4 NCGC00024324-08 D0WV3U Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furoyl)- EINECS 242-885-8 HMS1990D17 Prazosin [INN:BAN] 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl)piperazine IENZQIKPVFGBNW-UHFFFAOYSA-N Pressin 2-[4-(2-Furoyl)piperazin-1-yl]-4-amino-6,7-dimethoxyquinazoline KBio2_005512 SBI-0051487.P003 5-25-13-00365 (Beilstein Handbook Reference) KBioSS_001302 Spectrum4_000483 AF-0052 MLS006011888 Tocris-0623 UNII-XM03YJ541D Bio2_000358 NCGC00016740-10 [3H]-Minipress BSPBio_001036 NCGC00024324-02 [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-furan-2-ylmethanone 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 Prazosina [INN-Spanish] 1-(4-amino-6,7-dimethoxy-2-quinazolinyl-4-(2-furanylcarbonyl)) piperrazine KBio1_000375 Prestwick2_000947 2-[4-(Furan-2-Ylcarbonyl)piperazin-1-Yl]-6,7-Dimethoxyquinazolin-4-Amine KBio3_000732 SMR001550197 AB00053528 Lentopres ST075549 AN-18022 NCGC00016740-02 NCGC00016740-05 XM03YJ541D BRD-K49111258-001-02-8 NCGC00016740-13 [3H]prazosin 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 Prazosinum 2-(4-(2-Furoyl)piperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline KBio2_002944 SB17351 KBioGR_000965 Spectrum2_001289 AB00053528_21 Minipress TL8001573 BCP14556 Tox21_113646 Bio1_000854 NCGC00016740-08 ZINC95616601 BRN 0768345 NCGC00016740-18 [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl](furan-2-yl)methanone CHEBI:8364 NCGC00024324-09 Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furoyl)- (8CI) FT-0630457 HMS2089G09 PRAZOSIN, Prazosin Hydrochloride 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furoyl)piperazine Justac Prestwick0_000947 2-[4-(2-furoyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine KBio2_006438 SCHEMBL26524 KS-00002WRN Spectrum5_001365 AKOS000310009 MolPort-000-891-036 NCGC00016740-03 Vasoflex (TN) Bio2_000838 NCGC00016740-11 [3H]-Pratsiol BSPBio_002221 NCGC00024324-04 CP-12299 NINDS_000375 DSSTox_CID_29008 Prazocin GTPL5385 HY-B0193 Prazosine 19216-56-9 KBio2_000376 Prestwick3_000947 2-{4-[(furan-2-yl)carbonyl]piperazin-1-yl}-6,7-dimethoxyquinazolin-4-amine KBio3_001721 SPBio_001297 AB00053528-19 LS-140002 ST24038261 BBL028799 NCGC00016740-06 XRA BRD-K49111258-003-05-7 NCGC00016740-14 [4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](2-furyl)methanone CAS-19216-56-9 NCGC00024324-07 D08411 Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl)- (9CI) DTXSID4049082 HMS1792D17 Prazosin (INN) 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl) piperazine IDI1_002113 Prazosinum [INN-Latin] 2-[4-(2-Furoyl)-1-piperazinyl]-6,7-dimethoxy-4-quinazolinamine # KBio2_003870 SBB032268 4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazinyl 2-furyl ketone KBioSS_000376 Spectrum3_000551 AC1L1J6T Minipress (TN) TNP00312 BDBM29568 Tox21_113646_1 Bio1_001343 NCGC00016740-09 [3H]-Furazosin BSPBio_000914 NCGC00016740-19 [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone 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 Prazosina 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)4-(2-furoyl)piperazine KB-207710 Prestwick1_000947 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine KBio3_000731 SMP1_000063 6,7-dimethoxy-4-amino-2-[4-(2-furoyl)piperazin-1-yl]quinazoline L000666 Spectrum_000822 AN-15618 NCGC00016740-01 [ 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	<10000.0 nM	Hoyer et al., PMID1987	PDSP

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