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GPCR

Name	Alpha-2A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2A
Synonym	alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2AAR Adra-2 Adra-2a ADRA2 ADRA2R Adrenergic alpha 2A receptor adrenergic receptor Alpha-2 adrenergic receptor subtype C10 Alpha-2A adrenoceptor Alpha-2A adrenoreceptor [ Show all ]
Disease	Attention deficit hyperactivity disorder Sexual dysfunction Pain
Length	450
Amino acid sequence	MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	P08913
Protein Data Bank	N/A
GPCR-HGmod model	P08913
3D structure model	This predicted structure model is from GPCR-EXP P08913.
BioLiP	N/A
Therapeutic Target Database	T11448
ChEMBL	CHEMBL1867
IUPHAR	25
DrugBank	BE0000289

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	Tox21_111697 D07945 Dexfenfluramine [INN:BAN] EINECS 207-276-3 Fenfluramine (-) 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 DB00574 DL-Fenfluramine Fenfluramin Fenfluramine [INN:BAN] 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 CHEMBL87493 Dexafenfluramine DSSTox_RID_76850 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 UNII-2DS058H2CF D09WNK Dexfenfluraminum [Latin] ethyl({1-[3-(trifluoromethyl)phenyl]propan-2-yl})amine Fenfluramine (INN) 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 CC-28378 DBGIVFWFUFKIQN-UHFFFAOYSA-N DSSTox_CID_3044 Fenfluramina Fenfluramine, (+-)-Isomer ()-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 d-Fenfluramine Dexfenfluramina [Spanish] DTXSID4023044 Fenfluramine (+) 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 ZX-AN024387 DivK1c_000980 Ethyl-[1-methyl-2-(3-trifluoromethyl-phenyl)-ethyl]-amine Fenfluramine hydrochloride (Salt/Mix) 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 CHEBI:5000 DEA No. 1670 DSSTox_GSID_23044 Fenfluramina [DCIT] 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 [ 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
Ki	373.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP
Ki	531.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP
Ki	804.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

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