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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	Pirenperone
Molecular formula	C23H24FN3O2
IUPAC name	3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
Molecular weight	393.462
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.6
Synonyms	Prestwick3_000531 DSSTox_RID_80730 SAM001246893 HMS2051H22 Spectrum2_001680 HXCNRYXBZNHDNE-UHFFFAOYSA-N SR-01000002998-7 L000956 MLS001424212 3-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one NCGC00015784-06 3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-2-methyl-pyrido[1,2-a]pyrimidin-4-one NCGC00021326-03 AC1L1J38 NSC760095 BSPBio_000541 Pirenperone [USAN:BAN:INN] CHEMBL18331 R 50656 EU-0101007 SMR000058507 HMS2234F07 Spectrum5_001827 KBio2_004632 Tox21_501007 LP01007 NCGC00015784-01 3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2-methyl-4H-pyrido-[1,2-a] pyrimidin-4-one NCGC00015784-09 4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2-methyl- NCGC00021326-06 AKOS030530791 Pharmakon1600-01504188 CAS- 75444-65-4 Pirenperonum D00PEU DSSTox_CID_25182 R-47465 HMS1569L03 SpecPlus_000663 HMS3393H22 SR-01000002998-2 KBioGR_001180 Y9FMC4513X MLS000069365 3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one NCGC00015784-04 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[2,1-b]pyrimidin-4-one NCGC00015784-12 75444-65-4 NCGC00261692-01 BRD-K25224017-001-05-2 CHEBI:92444 Prestwick1_000531 Prestwick_858 DTXSID9045182 SBI-0050980.P003 HMS2093C08 Spectrum3_001655 KBio1_001703 Tox21_110220 Lopac-P-126 MolPort-003-666-539 3-[2-[4-(4-Fluorobenzoyl)-1- piperidinyl]-ethyl-2-methyl-4H- pyrido[1,2-a]pyrimidin-4-one NCGC00015784-07 3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-2-methyl-pyrido[1,2-a]pyrimidin-4-one(Pirenperone) NCGC00021326-04 AC1Q2F2M Opera_ID_1876 BSPBio_003409 Pirenperone [USAN:INN:BAN] CPD000058507 D05495 R-47,465 FT-0732988 SPBio_001899 HMS3263I15 Spectrum_001584 KBio2_007200 UNII-Y9FMC4513X LS-177186 NCGC00015784-02 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one NCGC00015784-10 4H-Pyrido[1,2-a]pyrimidin-4-one,3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2-methyl- NCGC00178084-01 BDBM50024205 Pirenperona CAS-75444-65-4 Pirenperonum [INN-Latin] DSSTox_GSID_45182 R-50656 HMS1922F15 SPECTRUM1504188 HMS3713L03 SR-01000002998-5 KBioSS_002064 MLS001148188 3-(2-(4-(4-fluorobenzoyl)piperidino)ethyl)-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one NCGC00015784-05 3-[2-[4-(p-fluorobenzoyl)piperidino]ethyl]-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one NCGC00015784-14 AB00053292_16 NSC-760095 BRD-K25224017-001-15-1 Pirenperone (USAN/INN) Prestwick2_000531 ZINC538194 R 47456 EINECS 278-213-5 SCHEMBL467209 HMS2096L03 Spectrum4_000620 KBio2_002064 Tox21_110220_1 Lopac0_001007 NC00316 3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]-ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one NCGC00015784-08 3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methylpyrido[1,2-a]pyrimidin-4-one NCGC00021326-05 AC1Q4NIA P-126 C23H24FN3O2 Pirenperone, >97%, solid CTK5E1570 DivK1c_006759 R-47456 GTPL283 SPBio_002462 HMS3370M02 SR-01000002998 KBio3_002629 VU0239628-6 MFCD00069332 NCGC00015784-03 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one NCGC00015784-11 NCGC00178084-02 BPBio1_000597 Pirenperona [INN-Spanish] CCG-39087 Prestwick0_000531 [ Show all ]
Inchi Key	HXCNRYXBZNHDNE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
PubChem CID	4847
ChEMBL	CHEMBL18331
IUPHAR	283
BindingDB	50024205
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.08 nM	PMID8632342	PDSP,BindingDB

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