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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	risperidone
Molecular formula	C23H27FN4O2
IUPAC name	3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular weight	410.493
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.7
Synonyms	R-118 Relday Risperidal M-Tab Risperidone 1.0 mg/ml in Methanol Risperidone, British Pharmacopoeia (BP) Reference Standard Risperin Sequinan SW197348-4 NCGC00179257-01 ZINC538312 Psychodal CAS-106266-06-2 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido [1,2-a] pyrimidin-4-one CR0023 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one DSSTox_RID_80740 3-{2-[4-(6-FLUORO-BENZO[D]ISOXAZOL-3-YL)-PIPERIDIN-1-YL]-ETHYL}-2-METHYL-6,7,8,9-TETRAHYDRO-PYRIDO[1,2-A]PYRIMIDIN-4-ONE HMS2098M19 4767-EP2272841A1 I01-1156 4767-EP2308867A2 Lopac-R-118 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl- NC00180 AB00514010-09 NCGC00015883-08 AKOS005577302 (risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one Belivon 3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one R-64766 Risperdal (TN) Risperidone [USAN:BAN:INN] Risperidone, placebo RTR-001241 Spiron Tox21_110253_1 NSC759895 R 62 766 CHEBI:8871 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidiny]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one D01AZG 3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl}-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one FT-0631037 3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one(risperidone) HMS3393H07 4767-EP2280008A2 Jsp000573 4767-EP2316836A1 MFCD00274576 66R062 NCGC00015883-03 AB00514010_13 Apexidone 106266-06-2 BRD-K53857191-001-04-5 3-[2-[4(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one R 64,766 R64766 risperdone Risperidone (RIS) Risperidone, 99% Risperidonum SC-16313 SR-01000075399-8 NCGC00094352-02 US8802672, Risperidone Prestwick0_001029 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one Consta, Risperdal 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one DSSTox_CID_25193 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one HMS2051H07 4767-EP2269990A1 HSDB 7580 4767-EP2298776A1 L000510 4H-Pyrido(1,2-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-2-methyl- MLS001424081 AB0004623 NCGC00015883-06 AC1L1JJU BCP08161 3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidino)ethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one C-21900 R-64,766 Rispen Risperidona Risperidone for system suitability, European Pharmacopoeia (EP) Reference Standard Risperidone, European Pharmacopoeia (EP) Reference Standard Rispolept SMR000466323 TL8000230 NP-202 Zophrenal PYR332 CC-34268 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-A]pyrimidin-4-one CS-1619 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]pyrimidin-4-one DTXSID8045193 3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one (Resperidone) HMS2233O11 4767-EP2275420A1 J-001555 4767-EP2308870A2 LS-134196 5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-6-methyl-1,3-dihydro-indol-2-one(Norastemizole) NCGC00015883-01 AB00514010-11 NCGC00015883-11 AN-15065 BG0309 3-?[2-?[4-?(6-?fluoro-?1,?2-?benzisoxazol-?3-?yl)?-?1-?piperidinyl]?ethyl]?-?2,?3,?6,?7,?8,?9-?hexahydro-?2-?methyl-4H-?Pyrido[1,?2-?a]?pyrimidin-?4-?one R0087 Risperdal Consta Risperidone (JAN/USAN/INN) Risperidone [USAN:USP:INN:BAN] Risperidone, United States Pharmacopeia (USP) Reference Standard s1615 SR-01000075399 TR-001241 PB26023 R 64 766 3-[2-[4(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl4H-pyrido[1,2-a]pyrimidin-4-one 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperi-dino]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]-pyrimidin-4-one 3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one GTPL96 3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one HMS3657G13 4767-EP2280010A2 KS-00000760 4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6 ,7,8,9-tetrahydro-2-methyl- MLS000759429 NCGC00015883-04 AB00514010_14 API0004081 2-(2-(4-(benzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-7,8,9,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidin-4(6H)-one BRD-K53857191-001-10-2 R 64766 RAPZEAPATHNIPO-UHFFFAOYSA-N Risperidal Risperidone (Risperdal) Risperidone, >=98% (HPLC), powder Risperidonum [Latin] SCHEMBL27911 STK646402 NCGC00094352-03 Z1522566617 Prestwick1_001029 3-[2-[4-(6-fluoro- 1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl4H-pyrido[1,2-a]pyrimidin-4-one CPD000466323 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one DSSTox_GSID_45193 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one HMS2089C22 4767-EP2272537A2 HY-11018 4767-EP2301936A1 L6UH7ZF8HC 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benz-isoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl- MolPort-002-885-858 AB00514010 NCGC00015883-07 ACT04270 BDBM50001885 3-(2-(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one C23H27FN4O2 R-64-766 Risperdal Risperidona [Spanish] Risperidone solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material Risperidone, Pharmaceutical Secondary Standard; Certified Reference Material Rispolin SPBio_003078 Tox21_110253 NSC-759895 Q-4040 CCG-100930 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one D00426 3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl}-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimid-in-4-one EU-0101074 3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one (risperidone) HMS3373M18 4767-EP2275423A1 J10290 4767-EP2308875A1 MCULE-4027175053 NCGC00015883-02 AB00514010-12 NCGC00094352-01 ANW-42874 1026102-43-1 BIDD:GT0262 3-[2-[-4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one R 64 766, Risperdal, Risperidone R64,766 Risperdal M-Tab Risperidone (JP17/USAN/INN) Risperidone(R 64 766) Risperidone-ISM SAM001246595 SR-01000075399-2 UNII-L6UH7ZF8HC Pharmakon1600-01506038 3-[2-[4-(6 fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one CHEMBL85 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one DB00734 3-{2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidino]ethyl}-6,7,8,9-tetrahydro-2-methylpyrido[1,2-a]pyrimidin-4-one HMS1571M19 3-{2-[4-(6-fluorobenzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one HMS3715M19 4767-EP2298731A1 KS-1106 4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-2-methyl- MLS001165758 A801409 NCGC00015883-05 AC-1306 BC206675 2-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-6,7,8,8a-tetrahydro-5H-naphthalen-1-one BRN 4891881 [ Show all ]
Inchi Key	RAPZEAPATHNIPO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
PubChem CID	5073
ChEMBL	CHEMBL85
IUPHAR	96
BindingDB	50001885
DrugBank	DB00734
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Affinity ratio	6.8 -	PMID8568801	ChEMBL
IC50	1.4 nM	PMID9876110	BindingDB,ChEMBL
IC50	2.6 nM	PMID7914536	BindingDB,ChEMBL
Ki	0.016 nM	PMID7520908	BindingDB
Ki	0.15 nM	PMID19072656	BindingDB,ChEMBL
Ki	0.16 nM	PMID8935801, PMID7861418, PMID9430133	BindingDB,ChEMBL
Ki	0.1603 nM	PMID17869521	ChEMBL
Ki	0.18 nM	PMID27639363	BindingDB
Ki	0.18 nM	PMID27639363, PMID23675993	ChEMBL
Ki	0.1995 nM	PMID10425088	ChEMBL
Ki	0.2 nM	PMID1347569	BindingDB
Ki	0.21 nM	PMID9577836	BindingDB
Ki	0.25 nM	PMID24487191, PMID7908055, MedChemComm, (2015) 6:5:831	BindingDB,ChEMBL
Ki	0.26 nM	PMID8524985	BindingDB
Ki	0.309 nM	PMID11101359, PMID11754579	ChEMBL
Ki	0.31 nM	PMID26483200	ChEMBL
Ki	0.31 nM	PMID26483200	BindingDB
Ki	0.39 nM	PMID9430133	BindingDB
Ki	0.537 nM	PMID8568801	ChEMBL
Ki	0.6 nM	PMID8822531	BindingDB
Ki	0.7 nM	PMID9876110	BindingDB
Ki	0.7 nM	PMID9876110	ChEMBL
Ki	1.4 nM	PMID8997630	BindingDB
Ki	3.16228 nM	PMID9655845	IUPHAR