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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Rattus norvegicus (Rat)
Gene	Htr2a
Synonym	serotonin 5HT-2 receptor 5Ht-2 'D' receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5-HT2A receptor 5-HT-2A 5-HT-2 serotonin receptor 2A [ Show all ]
Disease	N/A for non-human GPCRs
Length	471
Amino acid sequence	MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV
UniProt	P14842
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	CHEMBL322
IUPHAR	6
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	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 KB-67327 3-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)-2,4-(1H,3H)-quinazolinedione ZINC537877 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 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 Tox21_110865 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 K0051 3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)quinazoline-2,4(1H,3H)-dione Ketanserin [USAN:BAN:INN] Vulketan Gel 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 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 # Taseron [3H]-Ketanserin 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 Ketanserin (Vulketan Gel) Tox21_110865_1 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 K261 3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H,3H)-quinazolinedione Ketanserin [USAN:INN:BAN] W-104435 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 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 Tocris-0908 [3H]ketanserin 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 I06-0365 3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)-ethyl)quinazoline-2,4(1H,3H)-dione Ketanserin tartrate UNII-97F9DE4CT4 [ 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
IC50	3.4 nM	PMID8960552	BindingDB,ChEMBL
Kd	0.2818 nM	Bioorg. Med. Chem. Lett., (1995) 5:7:667	ChEMBL
Kd	1.349 nM	PMID11754579	ChEMBL
Kd	1.35 nM	PMID11754579	BindingDB
Kd	1.58489 nM	PMID11040033	IUPHAR
Ki	0.47 nM	PMID24050112	ChEMBL
Ki	0.49 nM	PMID17900912	BindingDB,ChEMBL
Ki	0.75 nM	PMID1347569	BindingDB
Ki	0.85 nM	PMID27061981, PMID26820556	BindingDB
Ki	0.85 nM	PMID19954866, PMID22133459, PMID27061981, PMID21440338, PMID26820556	BindingDB,ChEMBL
Ki	0.89 nM	PMID9225287	BindingDB
Ki	1.0 nM	PMID7984267	BindingDB
Ki	1.0 - 2.51189 nM	PMID11040033, PMID9655845	IUPHAR
Ki	1.04 nM	PMID6645787	BindingDB
Ki	1.07 nM	PMID6645787	BindingDB
Ki	1.2 nM	PMID2795135	BindingDB
Ki	1.25 nM	PMID7582481	BindingDB
Ki	1.29 nM	PMID6645787	BindingDB
Ki	1.5 nM	PMID11354383	BindingDB,ChEMBL
Ki	1.6 nM	PMID9686407	BindingDB
Ki	1.99 nM	PMID7984267	BindingDB
Ki	3.2 nM	PMID2877462	BindingDB
Ki	3.5 nM	PMID17649988	BindingDB,ChEMBL
Ki	3.98 nM	PMID7984267	BindingDB
Ki	5.01 nM	PMID7984267	BindingDB
Ki	5.129 nM	PMID11754579	ChEMBL
Ki	14.5 nM	PMID1501121	BindingDB
Ki	192.0 nM	PMID2531826	BindingDB

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