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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	Pipamperone
Molecular formula	C21H30FN3O2
IUPAC name	1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide
Molecular weight	375.488
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.0
Synonyms	L000727 p-Fluoro-.gamma.-(4-piperidino-4-carbamoylpiperidino)butyrophenone Pipamperona [INN-Spanish] (1,4'-Bipiperidine)-4'-carboxamide, 1'-(4-(4-fluorophenyl)-4-oxobutyl)- Pipamperonum [INN-Latin] 1'-[4-(4-Fluorophenyl)-4-oxobutyl]-[1,4'-bipiperidine]-4'-carboxamide R4050 150093-EP2280012A2 [1,4'-Bipiperidine]-4'-carboxamide,1'-[4-(4-fluorophenyl)-4-oxobutyl]- 5402501F0W BRD-K26801045-001-01-1 CHEMBL440294 Dipiperone NCGC00165864-01 PDSP1_001560 PIPAMPERONE DIHYDROCHLORIDE APPROX. 99 1'-(3-(4-fluorobenzoyl)propyl)-(1,4'-bipiperidine) -4'-carboxamide Piperonyl 1,4'-Bipiperidine]-4'-carboxamide, 1'-[4-(4-fluorophenyl)-4-oxobutyl]- SR-05000001930 2448-68-2 (di-hydrochloride) AB01563106_01 Carpiperone D02622 Fluoropipamide Isonipacotamide, 1-(3-(p-fluorobenzoyl)propyl)-4-piperidino- NSC759178 Pipamperon Pipamperone [USAN:INN:BAN] 1'-(4-(4-fluorophenyl)-4-oxobutyl)-1,4'-bipiperidine-4'-carboxamide R 3345 1-[4-(4-fluorophenyl)-4-oxo-butyl]-4-(1-piperidyl)piperidine-4-carboxamide ZINC21297287 4'-Fluoro-4-(4-N-piperidino-4-carbamidopiperidino)butyrophenone AXKPFOAXAHJUAG-UHFFFAOYSA-N CCRIS 9071 Dipiperal LS-44586 p-Fluoro-gamma-(4-piperidino-4-carbamoylpiperidino)butyrophenone Pipaneperone 1'-[4-(4-Fluorophenyl)-4-oxobutyl]-[1,4'-bipiperidine]-4'-carboxamide Hydrochloride SBI-0206899.P001 150093-EP2289894A2 BRN 0496532 CTK7F7159 DTXSID8048369 NCGC00165864-02 PDSP2_001544 Pipamperone HCl 1'-(3-(p-Fluorobenzoyl)propyl)(1,4'-bipiperidine)-4'-carboxamide Propitan 1-(3-(p-fluorobenzoyl)propyl)-4-piperidino-isonipacotamid SR-05000001930-1 4 inverted exclamation mark -bipiperidine)-4 inverted exclamation mark -carboxamide,1 inverted exclamation mark -(3-(p-fluorobenzoyl)propyl)-( AC1L1J1T CAS_1893-33-0 GTPL92 Isonipecotamide, 1-(3-(p-fluorobenzoyl)propyl)-4-piperidino- NSC_4830 Pipamperona (1,4'-BIPIPERIDINE)-4'-CARBOXAMIDE, 1'-(3-(p-FLUOROBENZOYL)PROPYL)- Pipamperonum 1'-[4-(4-fluorophenyl)-4-oxobutyl]-1,4'-bipiperidine-4'-carboxamide R-3345 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide [1,4'-Bipiperidine]-4'-carboxamide, 1'-[4-(4-fluorophenyl)-4-oxobutyl]- 5-22-13-00536 (Beilstein Handbook Reference) BDBM81483 CHEBI:78549 Dipiperon McN-JR-3345 P2315 Pipamperone (USAN/INN) 1 inverted exclamation mark -(3-(p-fluorobenzoyl)propyl)(1,4 inverted exclamation mark -bipiperidine)-4 inverted exclamation mark -carboxamide Piperonil 1,4'-Bipiperidine)-4'-carboxamide, 1'-(4-(4-fluorophenyl)-4-oxobutyl)- SCHEMBL2412 1893-33-0 C21H30FN3O2 D00DBO Floropipamide HMS3264G14 NSC-759178 Pharmakon1600-01505690 pipamperone hydrochloride 1'-(3-(p-Fluorobenzoyl)propyl)-(1,4'-bipiperidine)-4'-carboxamide Propitan (Salt/Mix) 1-(4-fluorophenyl)-4-(4-piperidino-4-carbamoylpiperidino)-1-butanone UNII-5402501F0W 4 inverted exclamation mark -bipiperidine)-4 inverted exclamation mark -carboxamide,1 inverted exclamation mark -(4-(4-fluorophenyl)-4-oxobutyl)-( AN-6479 CCG-213514 DB09286 [ Show all ]
Inchi Key	AXKPFOAXAHJUAG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)
PubChem CID	4830
ChEMBL	N/A
IUPHAR	92
BindingDB	81483
DrugBank	DB09286
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
Ki	5.01187 nM	PMID8935801	IUPHAR
Ki	5.4 nM	PMID8935801	PDSP,BindingDB
Ki	7.21 nM	PMID8632342	PDSP,BindingDB

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