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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	RAPZEAPATHNIPO-UHFFFAOYSA-N Risperidal Risperidone (Risperdal) Risperidone, >=98% (HPLC), powder Risperidonum [Latin] SCHEMBL27911 STK646402 NCGC00094352-03 Z1522566617 Prestwick1_001029 R 64766 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 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 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 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 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 R64,766 Risperdal M-Tab Risperidone (JP17/USAN/INN) Risperidone(R 64 766) Risperidone-ISM SAM001246595 SR-01000075399-2 UNII-L6UH7ZF8HC Pharmakon1600-01506038 R 64 766, Risperdal, Risperidone 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 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 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 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 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 R-64766 Risperdal (TN) Risperidone [USAN:BAN:INN] Risperidone, placebo RTR-001241 Spiron Tox21_110253_1 NSC759895 R 62 766 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 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 R64766 risperdone Risperidone (RIS) Risperidone, 99% Risperidonum SC-16313 SR-01000075399-8 NCGC00094352-02 US8802672, Risperidone Prestwick0_001029 R 64,766 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 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 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 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 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 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 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 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 [ 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

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