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 7
Species	Cavia porcellus (Guinea pig)
Gene	HTR7
Synonym	5-HT-7 5-HT-X 5-HT7 Serotonin receptor 7
Disease	N/A for non-human GPCRs
Length	446
Amino acid sequence	MMGVNSSGRPDLYGHLHSILLPGRGLPDWSPDGGADPGVSTWTPRLLSGVPEVAASPSPSWDGTWDNVSGCGEQINYGRAEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVIPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMPKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYRIYKAARKSAAKHKFPGFPRVQPESIISLNGMVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTACSCIPLWVERTCLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERPECVLQNSDYCRKKGHDS
UniProt	P50407
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	CHEMBL5494
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Ketanserin
Molecular formula	C22H22FN3O3
IUPAC name	3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
Molecular weight	395.434
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.6
Synonyms	ZINC537877 KB-67327 3-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)-2,4-(1H,3H)-quinazolinedione KETANSERIN, Ketanserin tartrate hydrate, KETANSERIN TARTRATE 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione KS-00000XLH 74050-98-9 NCGC00021146-04 AC1L1GSK NCGC00024865-02 BDBM21395 Perketal CAS-74050-98-9 R41 468 D02363 SMR001550601 EINECS 277-680-2 HMS1923O11 Tox21_110865 2,4(1H,3H)-Quinazolinedione,3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]- Ketanserin (USAN/INN) 3-(2-{4-[(4-fluorophenyl)carbonyl]piperidin-1-yl}ethyl)quinazoline-2,4(1H,3H)-dione Ketanserine 3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-1H-quinazoline-2,4-dione MLS006010073 97F9DE4CT4 NCGC00021146-07 AN-5822 NCGC00024865-05 BRD-K49671696-001-02-1 R 41468 CHEBI:6123 s2232 DB12465 Spectrum2_001713 FT-0630827 (+)-3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2,4(1H,3H)-quinazolinedione HMS3655H14 Vulketan Gel K0051 3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)quinazoline-2,4(1H,3H)-dione Ketanserin [USAN:BAN:INN] 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,4-(1H,3H)-quinazolinedione Ketanserinum [INN-Latin] 3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-1H-quinazoline-2,4-dione NCGC00021146-02 AB2000544 NCGC00021146-12 AX8034794 PDSP1_000639 C07464 R-41-468 CS-6055 SCHEMBL34294 DSSTox_RID_76913 GTPL197 191037-EP2275420A1 Taseron [3H]-Ketanserin 2,4(1H,3H)-Quinazolinedione, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)- Kentanserin 3-(2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl)-2,4(1H,3H)-quinazolinedione # Ketanserina 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione L000764 83846-83-7 NCGC00021146-05 AJ-23373 NCGC00024865-03 Biomol-NT_000096 Pharmakon1600-01505346 CC-29757 R41,468 D08VRO SPBio_001726 F2173-1039 HMS2090H18 Tox21_110865_1 Ketanserin (Vulketan Gel) 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]-ethyl]-2,4-[1H, 3H]-quinazolinedione Ketanserine [INN-French] 3-{2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl}-2,4(1H,3H)-quinazolinedione MolPort-003-666-642 A838000 NCGC00021146-08 AOB5639 NSC-758959 BRD-K49671696-347-02-8 R 41468;Vulketan Gel SBI-0051158.P003 DSSTox_CID_3188 Sufrexal FT-0653664 HY-10562 W-104435 K261 3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H,3H)-quinazolinedione Ketanserin [USAN:INN:BAN] 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1H-quinazoline-2,4-dione Ketaserin 3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}quinazoline-2,4(1H,3H)-dione NCGC00021146-03 AC-2024 NCGC00024865-01 BC202701 PDSP2_000634 C22H22FN3O3 R-41468 CTK8G0431 Serefrex DTXSID3023188 GTPL88 191037-EP2280008A2 Tocris-0908 [3H]ketanserin 2,4(1H,3H)-Quinazolinedione, 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]- 3-(2-{4-[(4-fluorophenyl)carbonyl]piperidin-1-yl}ethyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione Ketanserina [INN-Spanish] 3-[2-[4-(p-Fluorobenzoyl)piperidino]ethyl]-2,4-(1H,3H)-quinazolinedione LS-140148 NCGC00021146-06 AKOS015895130 NCGC00024865-04 BPBio1_001356 R 41,468 CCG-39512 RL04800 SPECTRUM1505346 FPCCSQOGAWCVBH-UHFFFAOYSA-N HMS2094I03 UNII-97F9DE4CT4 I06-0365 3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)-ethyl)quinazoline-2,4(1H,3H)-dione Ketanserin tartrate 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,4(1H,3H)-quinazolinedione Ketanserinum 3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione NCGC00021146-01 AB0014126 NCGC00021146-09 API0003079 NSC758959 C-21630 R-41,468 CHEMBL51 SC-17248 DSSTox_GSID_23188 SW196882-3 GS-3601 050K989 [ Show all ]
Inchi Key	FPCCSQOGAWCVBH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
PubChem CID	3822
ChEMBL	CHEMBL51
IUPHAR	197, 88
BindingDB	21395
DrugBank	DB12465
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	630.95 nM	PMID7647964	PDSP,BindingDB
Ki	630.96 nM	PMID9149537	BindingDB
Ki	2884.03 nM	PMID7647964	PDSP,BindingDB

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