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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	fenfluramine
Molecular formula	C12H16F3N
IUPAC name	N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Molecular weight	231.262
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.4
Synonyms	1-(meta-Trifluoromethyl-phenyl)-2 ethylaminopropane LS-103507 458-24-2 N-Ethyl-alpha-methyl-3-trifluoromethylphenethylamine Acino Obedrex Benzeneethanamine, N-ethyl-alpha-methyl-3-(trifluoromethyl)- (9CI) Ponderex C12H16F3N UNII-2DS058H2CF D09WNK Dexfenfluraminum [Latin] ethyl({1-[3-(trifluoromethyl)phenyl]propan-2-yl})amine Fenfluramine (INN) GTPL4613 IDI1_000980 2DS058H2CF N-ethyl-1-(3-(trifluoromethyl)phenyl)propan-2-amine AB0111161 NCGC00159473-03 AN-44793 Phenethylamine, N-ethyl-alpha-methyl-m-(trifluoromethyl)- Benzeneethanamine, N-ethyl-alpha-methyl-3-(trifluoromethyl)-, (+-)-(9CI) Prestwick_868 CC-28378 DBGIVFWFUFKIQN-UHFFFAOYSA-N DSSTox_CID_3044 Fenfluramina Fenfluramine, (+-)-Isomer ()-Fenfluramine hydrochloride LS-103505 404-82-0 N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine AC1Q31EZ NINDS_000980 Benzeneethanamine, N-ethyl-.alpha.-methyl-3-(trifluoromethyl)- Ponderax (TN) BRN 4783711 SCHEMBL16215 d-Fenfluramine Dexfenfluramina [Spanish] DTXSID4023044 Fenfluramine (+) Fenfluraminum [INN-Latin] 2-Ethylamino-1-(3-trifluoromethylphenyl)propane N-Ethyl-.alpha.-methyl-3-trifluoromethylphenethylamine 5220-89-3 N-Ethyl-alpha-methyl-m-(trifluoromethyl)phenethylamine Adipomin (Salt/Mix) Pesos Benzeneethanamine, N-ethyl-alpha-methyl-3-(trifluoromethyl)-(9CI) Ponderex (Salt/Mix) CAS-458-24-2 ZX-AN024387 DivK1c_000980 Ethyl-[1-methyl-2-(3-trifluoromethyl-phenyl)-ethyl]-amine Fenfluramine hydrochloride (Salt/Mix) HSDB 3080 KBio1_000980 3-(Trifluoromethyl)-N-ethyl-.alpha.-methylphenethylamine N-Ethyl-1-[3-(trifluoromethyl)phenyl]-2-propanamine AC-16024 NCGC00159473-04 API0002685 Phenethylamine, N-ethyl-alpha-methyl-m-(trifluoromethyl)-, (+-)- Benzeneethanamine, N-ethyl-alpha-methyl-3-(trifluoromethyl)-, (S)- Rotondin CHEBI:5000 DEA No. 1670 DSSTox_GSID_23044 Fenfluramina [DCIT] fenfluraminehydrochloride (+-)-Fenfluramine LS-103506 404-82-0 (hydrochloride) N-Ethyl-alpha-methyl-3-(trifluoromethyl)benzeneethanamine AC1Q31F0 NSC_3337 Benzeneethanamine, N-ethyl-alpha-methyl-3-(trifluoromethyl)- Ponderax PA C06996 Tox21_111697 D07945 Dexfenfluramine [INN:BAN] EINECS 207-276-3 Fenfluramine (-) FT-0603398 1-(m-trifluoromethyl-phenyl)-2-ethylaminopropane 25990-46-9 N-Ethyl-.alpha.-methyl-m-(trifluoromethyl)phenethylamine hydrochloride (Salt/Mix) NCGC00159473-02 AKOS011892098 Phenethylamine, N-ethyl-.alpha.-methyl-m-(trifluoromethyl)- Benzeneethanamine, N-ethyl-alpha-methyl-3-(trifluoromethyl)-, (+-)- Pondimin (Salt/Mix) CAS_16105-77-4 DB00574 DL-Fenfluramine Fenfluramin Fenfluramine [INN:BAN] HSDB 7356 L000742 3-(Trifluoromethyl)-N-ethyl-alpha-methylphenethylamine N-Ethyl-1-[3-(trifluoromethyl)phenyl]-2-propanamine # AC1L1FPE NCGC00159473-05 BDBM84738 Phenethylamine, N-ethyl-alpha-methyl-m-(trifluoromethyl)-, (S)- Benzeneethanamine, N-ethyl-alpha-methyl-3-(trifluoromethyl)-, (S)-(9CI) S 768 CHEMBL87493 Dexafenfluramine DSSTox_RID_76850 Fenfluraminum (+/-)-Fenfluramine hydrochloride [ Show all ]
Inchi Key	DBGIVFWFUFKIQN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3
PubChem CID	3337
ChEMBL	N/A
IUPHAR	N/A
BindingDB	84738
DrugBank	DB00574
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	1430.0 nM	PMID10617681	PDSP
Ki	2470.0 nM	PMID10617681	PDSP
Ki	3801.89 nM	PMID15322733	BindingDB
Ki	3801.89 nM	PMID15322733	PDSP

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