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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	BENPERIDOL
Molecular formula	C22H24FN3O2
IUPAC name	3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular weight	381.451
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.7
Synonyms	HMS2235H20 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one McN-JR 4584 NSC 170982 AKOS016339645 Prestwick0_000484 BDBM81492 SCHEMBL122650 Benperidolum [INN-Latin] UNII-97O6X78C53 BRN 0900981 1-1-[3-(p-Fluorobenzoyl)propyl]-4-piperidyl-2-benzimidazolinone DSSTox_CID_25364 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl}-1h-benzo[d]imidazol-2(3h)-one Frenactyl hydrochloride 2H-Benzimidazol-2-one, 1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-4-piperidinyl)-1,3-dihydro- KB-151621 MLS002153837 983-42-6 NSC169873 Anquil (TN) Prestwick3_000484 Benperidol hydrochloride SR-01000841254 Benzoperidol ZINC9232411 CAS-2062-84-2 062B842 CTK4E4730 1-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-4-piperidyl]-3H-benzoimidazol-2-one DTXSID7045364 2-Benzimidazolinone, hydrochloride Glianimon 2H-Benzimidazol-2-one,1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl]-1,3-dihydro- 3-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-4-piperidyl]-1H-benzimidazol-2-one L000947 8089 C.B NCGC00016602-02 AC1L27SU PDSP1_000835 API0001507 R-4584 Benperidolo [DCIT] Tox21_110517 BPBio1_000383 CCG-220484 1-(1-(4-(4-fluorophenyl)-4-oxobutyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one DB-045313 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidyl}-3-hydrobenzimidazol-2-one Frenactil 2-Benzimidazolinone, {1-[1-[3-(p-fluorobenzoyl)propyl]-4-piperidyl]-} HMS1569B09 HMS3374B03 4'-Fluor-4-(4-(2-oxo-1-benzimidazolinyl)piperidino)butyrophenon McN-JR-4584 NSC-169873 AN-50195 Prestwick1_000484 SMR001233200 Benquil VZ21069 BSPBio_000347 CHEMBL297302 1-[1-[3-(p-Fluorbenzoyl)propyl]-4-piperidyl]-2-benzimidazolinon DSSTox_GSID_45364 2-Benzimidazolinone, 1-(1-(3-(p-fluorobenzoyl)propyl)-4-piperidyl)- FT-0634013 2H-Benzimidazol-2-one, 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl]-1,3-dihydro- 2H-Benzimidazol-2-one,3-dihydro-, monohydrochloride KS-00002WVI 8089 C. B MolPort-019-993-885 A814756 NSC170982 Anquil (VAN) Prestwick_778 Benperidol [USAN:INN:BAN] SR-01000841254-2 Benzperidol {1-1-[3-(p-Fluorobenzoyl)propyl]-4-piperidyl-2-benzimidazolinone} CAS_2062-84-2 1-(1-(3-(p-Fluorobenzoyl)propyl)-4-piperidyl)-2-benzimidazolinone D02627 1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one EINECS 218-172-2 2-Benzimidazolinone, hydrochloridemonohydrate Glianimon mite 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl]-1H-benzimidazol-2-one LS-33249 8089 C.B. NCGC00016602-04 AC1Q4NJZ PDSP2_000822 BDBM50183266 SC-75880 Benperidolum Tox21_110517_1 BRD-K79425933-001-03-6 CHEBI:93403 1-1-(3-(p-Fluorobenzoyl)propyl)-4-piperidyl-2-benzimidazolinone DB12867 1-{1-[4-(4-Fluorophenyl)-4-oxobutyl]piperidin-4-yl}-1H-benzo[d] imidazol-2(3H)-one Frenactyl 2062-84-2 HMS2096B09 HMS3713B09 5-24-02-00375 (Beilstein Handbook Reference) MCULE-4111012284 97O6X78C53 NSC-170982 Anquil Prestwick2_000484 Benperidol (USAN/INN) SPBio_002268 Benzeridol WLN: T56 BMVNJ D- DT6NTJ A3VR DF C22H24FN3O2 Concilium 1-[1-[3-(p-fluorobenzoyl)propyl]-4-piperidyl]-2-benzimidazolinone DSSTox_RID_80827 2-Benzimidazolinone, 1-[1-[3-(p-fluorobenzoyl)propyl]-4-piperidyl]- gamma-[4-(2-oxo-1-benzimidazolinyl)-piperidino]-p-fluorobutyrophenone 2H-Benzimidazol-2-one, {1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl]-1,3-dihydro-} 3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]piperidin-4-yl]-1H-benzimidazol-2-one KS-1335 8089 C. B. NCGC00016602-01 AC-12200 NSC_16363 Anquil hydrochloride R 4584 Benperidolo ST50993924 Benzperidol hydrochloride CB 8089 1-(1-(4-(4-Fluorophenyl)-4-oxobutyl)-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one D0X7QQ 1-{1-(3-(p-Fluorobenzoyl)propyl)-4-piperidyl}-2-benzimidazolinone FEBOTPHFXYHVPL-UHFFFAOYSA-N 2-Benzimidazolinone, {1-[1-[3-(p-fluorobenzoyl)propyl]-4-piperidyl]-,} hydrochloridemonohydrate GTPL9215 [ Show all ]
Inchi Key	FEBOTPHFXYHVPL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
PubChem CID	16363
ChEMBL	CHEMBL297302
IUPHAR	9215
BindingDB	81492, 50183266
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	1.2 nM	PMID27364609	BindingDB,ChEMBL

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