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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Homo sapiens (Human)
Gene	HTR2A
Synonym	5-HT-2 serotonin receptor 2A serotonin 5HT-2 receptor 5-HT-2A 5-HT2A receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5Ht-2 'D' receptor [ Show all ]
Disease	Depression Unspecified Diabetes Erythropoietic porphyria Fibromyalgia Sleep disorders Schizophrenia Psychiatric disorder Pancreatitis Mood disorder Migraine Hemorrhoids Glaucoma Central nervous system disease Cardiovascular disorder Addiction Schizophrenia; Sleep maintenance insomnia Alcohol use disorders Anxiety disorder [ Show all ]
Length	471
Amino acid sequence	MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
UniProt	P28223
Protein Data Bank	6a93, 6a94
GPCR-HGmod model	P28223
3D structure model	This structure is from PDB ID 6a93.
BioLiP	BL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027
Therapeutic Target Database	T32060
ChEMBL	CHEMBL224
IUPHAR	6
DrugBank	BE0000451

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	HSDB 7580 4767-EP2298776A1 SR-01000075399-8 L000510 NCGC00094352-02 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- US8802672, Risperidone MLS001424081 Prestwick0_001029 AB0004623 NCGC00015883-06 R 64,766 AC1L1JJU R64766 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 risperdone C-21900 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 Risperidone (RIS) 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 Risperidone, 99% 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 Risperidonum HMS2051H07 4767-EP2269990A1 SC-16313 SMR000466323 J-001555 4767-EP2308870A2 TL8000230 LS-134196 NP-202 5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-6-methyl-1,3-dihydro-indol-2-one(Norastemizole) Zophrenal NCGC00015883-01 PYR332 AB00514010-11 NCGC00015883-11 R-64,766 AN-15065 Rispen 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 Risperidona 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 Risperidone for system suitability, European Pharmacopoeia (EP) Reference Standard 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 Risperidone, European Pharmacopoeia (EP) Reference Standard 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) Rispolept HMS2233O11 4767-EP2275420A1 4767-EP2280010A2 SR-01000075399 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- TR-001241 MLS000759429 PB26023 NCGC00015883-04 R 64 766 AB00514010_14 R0087 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 Risperdal Consta BRD-K53857191-001-10-2 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 Risperidone (JAN/USAN/INN) 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 Risperidone [USAN:USP:INN:BAN] 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 Risperidone, United States Pharmacopeia (USP) Reference Standard 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 s1615 HMS3657G13 HY-11018 4767-EP2301936A1 STK646402 L6UH7ZF8HC NCGC00094352-03 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- Z1522566617 MolPort-002-885-858 Prestwick1_001029 AB00514010 NCGC00015883-07 R 64766 ACT04270 RAPZEAPATHNIPO-UHFFFAOYSA-N 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 Risperidal C23H27FN4O2 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 Risperidone (Risperdal) 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 Risperidone, >=98% (HPLC), powder 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 Risperidonum [Latin] HMS2089C22 4767-EP2272537A2 SCHEMBL27911 4767-EP2275423A1 SPBio_003078 J10290 4767-EP2308875A1 Tox21_110253 MCULE-4027175053 NSC-759895 NCGC00015883-02 Q-4040 AB00514010-12 NCGC00094352-01 R-64-766 ANW-42874 1026102-43-1 Risperdal 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 Risperidona [Spanish] 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 Risperidone solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material 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 Risperidone, Pharmaceutical Secondary Standard; Certified Reference Material 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) Rispolin HMS3373M18 4767-EP2298731A1 SR-01000075399-2 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- UNII-L6UH7ZF8HC MLS001165758 Pharmakon1600-01506038 A801409 NCGC00015883-05 R 64 766, Risperdal, Risperidone AC-1306 R64,766 BC206675 2-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-6,7,8,8a-tetrahydro-5H-naphthalen-1-one Risperdal M-Tab BRN 4891881 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 Risperidone (JP17/USAN/INN) 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 Risperidone(R 64 766) 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 Risperidone-ISM 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 SAM001246595 HMS3715M19 Sequinan I01-1156 4767-EP2308867A2 SW197348-4 Lopac-R-118 NCGC00179257-01 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- ZINC538312 NC00180 Psychodal AB00514010-09 NCGC00015883-08 R-118 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 Relday 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 Risperidal M-Tab 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 Risperidone 1.0 mg/ml in Methanol 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 Risperidone, British Pharmacopoeia (BP) Reference Standard 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 Risperin HMS2098M19 4767-EP2272841A1 4767-EP2280008A2 Spiron Jsp000573 4767-EP2316836A1 Tox21_110253_1 MFCD00274576 NSC759895 66R062 NCGC00015883-03 R 62 766 AB00514010_13 R-64766 Apexidone 106266-06-2 Risperdal (TN) 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 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 Risperidone [USAN:BAN:INN] 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 Risperidone, placebo 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) RTR-001241 HMS3393H07 [ 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
	N/A	N/A	DrugBank
Activity	2.0 %	PMID25965777	ChEMBL
Activity	3.0 %	PMID25965777	ChEMBL
IC50	0.346 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	0.099 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	0.1 - 0.501187 nM	PMID8935801, PMID12629531, PMID12176106	IUPHAR
Ki	0.14 nM	PMID9015795	PDSP,BindingDB
Ki	0.15 nM	PMID11132243, PMID25343529	PDSP,BindingDB,ChEMBL
Ki	0.15 nM	PMID25343529	BindingDB
Ki	0.16 nM	PMID14998318	BindingDB
Ki	0.16 nM	PMID14998318	ChEMBL
Ki	0.17 nM	PMID12629531	PDSP,BindingDB
Ki	0.19 nM	http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6	PDSP
Ki	0.2 nM	PMID16051647, http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6	PDSP
Ki	0.21 nM	http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6	PDSP
Ki	0.29 nM	PMID18595716	PDSP
Ki	0.29 nM	PMID18595716	BindingDB,ChEMBL
Ki	0.39 nM	PMID11170639	BindingDB,ChEMBL
Ki	0.42 nM	PMID8632342	PDSP,BindingDB
Ki	0.43 nM	PMID7520908	PDSP,BindingDB
Ki	0.489779 nM	http://www.nature.com/tpj/journal/v6/n1/pdf/6500342a.pdf	PDSP
Ki	0.5 nM	, None	BindingDB,ChEMBL
Ki	0.501 nM	PMID19796944	BindingDB
Ki	0.501187 nM	PMID14741248	BindingDB
Ki	0.5012 nM	PMID17588750, MedChemComm, (2011) 2:12:1194, PMID24316025, PMID14741248, PMID19796944	ChEMBL
Ki	0.52 nM	PMID8935801	PDSP,BindingDB
Ki	0.81 nM	PMID15771415	PDSP,BindingDB,ChEMBL
Ki	>1.0 nM	MedChemComm, (2012) 3:5:580	ChEMBL
Ki	1.0 nM	PMID24805037	BindingDB
Ki	1.0 nM	PMID17880057, PMID24805037	ChEMBL
Ki	1.1 nM	PMID12176106, PMID8997630	PDSP,BindingDB
Ki	7.0 nM	PMID10227113	PDSP,BindingDB