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GPCR

Name	Alpha-1A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1A
Synonym	alpha1a ADRA1C ADRA1L1 adrenergic alpha 1c receptor adrenergic receptor alpha 1c adrenergic receptor, alpha 1a alpha 1A-adrenoceptor alpha 1A-adrenoreceptor alpha1c alpha 1C-adrenergic receptor alpha-1A adrenergic receptor Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor Alpha-adrenergic receptor 1c alpha1A-adrenoceptor [ Show all ]
Disease	Urinary incontinence Benign prostatic hyperplasia Cognitive disorders Female sexual dysfunction Glaucoma Hypertension Major depressive disorder Pain Post-traumatic stress disorder Prostate cancer; Benign prostatic hyperplasia Prostate disease Prostate hyperplasia Stress urinary incontinence Unspecified [ Show all ]
Length	466
Amino acid sequence	MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
UniProt	P35348
Protein Data Bank	N/A
GPCR-HGmod model	P35348
3D structure model	This predicted structure model is from GPCR-EXP P35348.
BioLiP	N/A
Therapeutic Target Database	T92609
ChEMBL	CHEMBL229
IUPHAR	22
DrugBank	BE0000501

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	Frosinor KBio1_001828 (3s,4r)-3-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine Motivan 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 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 NCGC00025355-04 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 FG 7051 KB-277026 (-)-trans-4-(4-Fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)piperidine LS-114249 110429-35-1 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 FT-0085087 KBio2_002232 (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine NCGC00025355-02 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 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 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 FG-7051 KB-302613 (-)-trans-4-(p-fluorophenyl)-3-[[3,4-(methylenedioxy)phenoxy]methyl]-piperidine MolPort-003-849-791 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 GTPL4790 KBio2_004800 (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine NCGC00025355-03 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 I14-7752 (-)-Paroxetine KS-00000JK2 (3S-trans)-3-[(1,3-Benzodioxol-5-yl-oxy)methyl]-4-(4-fluorophenyl)piperidine 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 [ 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	995.0 nM	PMID9400006	BindingDB
Ki	2741.0 nM	PMID12232544	BindingDB
Ki	4600.0 nM	PMID7855217	BindingDB

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