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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 2C
Species	Homo sapiens (Human)
Gene	HTR2C
Synonym	Serotonin receptor 2C serotonin 1c receptor 5-HT1C 5-HT2C 5-HT-2C 5-HT2C receptor 5-HTR2C 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled 5-hydroxytryptamine receptor 1C HTR1C 5-HT-1C [ Show all ]
Disease	Pain Sleep initiation and maintenance disorders; Primary insomnia; Schizophrenia Unspecified Depression Drug abuse Generalized anxiety disorder; Major depressive disorder Major depressive disorder Metabolic disorders Psychotic disorders Mood disorder Neurological disease Obesity Obesity; Diabetes Migraine headaches Anxiety disorder Alcohol use disorders Aggressive non-hodgkin's lymphoma [ Show all ]
Length	458
Amino acid sequence	MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV
UniProt	P28335
Protein Data Bank	6bqg, 6bqh
GPCR-HGmod model	P28335
3D structure model	This structure is from PDB ID 6bqg.
BioLiP	BL0404805, BL0404806
Therapeutic Target Database	T83813
ChEMBL	CHEMBL225
IUPHAR	8
DrugBank	BE0004957, BE0004881, BE0000533

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	Fenfluraminum (+/-)-Fenfluramine hydrochloride 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 GTPL4613 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) ()-Fenfluramine hydrochloride 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 Fenfluraminum [INN-Latin] 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 (+) HSDB 3080 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) fenfluraminehydrochloride (+-)-Fenfluramine 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] FT-0603398 1-(m-trifluoromethyl-phenyl)-2-ethylaminopropane 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 (-) HSDB 7356 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] [ 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	1412.54 nM	PMID15322733	PDSP
Ki	1412.54 nM	PMID15322733	BindingDB
Ki	1620.0 nM	PMID10617681	PDSP
Ki	2080.0 nM	PMID10617681	PDSP

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