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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	paroxetine
Molecular formula	C19H20FNO3
IUPAC name	(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
Molecular weight	329.371
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.5
Synonyms	3h-paroxetine NCGC00182968-01 8PR Paroxetine Acetate AC1Q4LV6 Paxil BDBM50331515 piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S,4R)- C-19975 SCHEMBL27799 Tox21_113123 DSSTox_CID_3425 GTPL4790 KBio2_004800 (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine NCGC00025355-03 NCGC00025355-06 63952-24-9 Paroxetina AB00053704_23 Paroxetine [USAN:INN:BAN] AK501459 Paxil, Pexeva BRD-K37991163-003-02-7 Piperidine,3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-,(3S,4R)- CAS-61869-08-7 Seroxat CR D06GDY ZINC527386 DTXSID3023425 I14-7752 (-)-Paroxetine KS-00000JK2 (3S-trans)-3-[(1,3-Benzodioxol-5-yl-oxy)methyl]-4-(4-fluorophenyl)piperidine NCGC00025355-09 78246-49-8 (hydrochloride) Paroxetine (TN) AC1L2AKL Paroxetinum [INN-Latin] Aropax Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, (3S,4R)- BRL-29060 SC-16100 CHEBI:7936 Spectrum_001752 DB00715 Frosinor KBio1_001828 (3s,4r)-3-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine Motivan NCGC00025355-04 41VRH5220H NNC-20-7051 AB00053704-21 PAROXETINE HCL HEMIHYDRATE AHOUBRCZNHFOSL-YOEHRIQHSA-N Paxil (TN) BIDD:GT0673 Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S-trans)- C07415 Seroxat CHEMBL490 Tox21_113123_1 DSSTox_GSID_23425 HMS2090H05 (-)-(3S,4R)-4-(p-Fluorophenyl)-3-((3,4-(methylenedioxy)phenoxy)methyl)piperidine KBio2_007368 (3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine NCGC00025355-07 64006-44-6 (maleate) Paroxetina [INN-Spanish] AB00514724 Paroxetine.HCl AKOS015888636 PaxPar BRD-K37991163-050-05-1 Prestwick3_000851 Casbol SpecPlus_000788 D06VML [3H]Paroxetine FG 7051 KB-277026 (-)-trans-4-(4-Fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)piperidine LS-114249 110429-35-1 3-(Benzo[1,3]Dioxol-5-Yl-Oxymethyl)-4-(4-Fluoro-Phenyl)-Piperidine Hydrochloride NCGC00025355-12 869P087 Paroxetine (USP/INN) AC1Q1H18 Paxetil BDBM22416 Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, (3S-trans)- BSPBio_000861 SC-22977 CHEMBL1708 TL8003967 DivK1c_006884 FT-0085087 KBio2_002232 (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine NCGC00025355-02 NCGC00025355-05 61869-08-7 Paroxetin HCL AB00053704_22 paroxetine hydrochloride (anhydrous or hemihydrate) AJ-23329 Paxil CR BPBio1_000949 Piperidine,3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S,4R)- C19H20FNO3 Seroxat (TN) D02362 UNII-41VRH5220H DSSTox_RID_77022 HSDB 7175 (-)-(3S,4R)-4-(p-Fluorophenyl)-3-((3,4-methylenedioxy)phenoxy)methyl)piperidine KBioSS_002232 (3S-trans)-3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine 110429-35-1 (HCl hemihydrate) NCGC00025355-08 72471-80-8 (acetate) AC-8185 Paroxetinum AN-8247 Pexeva BRL 29060 SBI-0051908.P002 CC-33477 Spectrum5_001665 FG-7051 KB-302613 (-)-trans-4-(p-fluorophenyl)-3-[[3,4-(methylenedioxy)phenoxy]methyl]-piperidine MolPort-003-849-791 [ Show all ]
Inchi Key	AHOUBRCZNHFOSL-YOEHRIQHSA-N
Inchi ID	InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
PubChem CID	43815
ChEMBL	CHEMBL490
IUPHAR	N/A
BindingDB	22416
DrugBank	DB00715
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID7855217	BindingDB
Ki	3915.0 nM	PMID9400006	BindingDB

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