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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	fluvoxamine
Molecular formula	C15H21F3N2O2
IUPAC name	2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
Molecular weight	318.34
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.6
Synonyms	AKOS016003882 BRD-K53517854-050-03-2 DTXSID2044002 Fluvoxamine (INN) KB-209259 NCGC00018193-05 O893 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine A830353 AX8021384 C15H21F3N2O2 D03HFG Faverin Fluvoxaminum Luvox (TN) NCGC00018193-08 (2-aminoethoxy)({5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene})amine SCHEMBL33983 5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone O-(2-aminoethyl)oxime AB00513735_06 AC1NT50J BIDD:GT0609 CCG-204586 DSSTox_GSID_44002 Fluvoxamina [INN-Spanish] HY-B0103 MolPort-005-943-374 NCGC00021870-05 (E)-5-Methoxy-4'-(trifluormethyl)valerophenon-O-(2-aminoethyl)oxim UNII-O4L1XPO44W 61718-82-9 (maleate) AN-5830 BSPBio_001089 CHEMBL814 Dumirox Fluvoxamine [INN:BAN] Lopac0_000495 NCGC00018193-06 Prestwick2_000995 2-[({5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine AB0016707 BC226180 CAS-54739-18-3 D07984 Floxyfral Fluvoxaminum [INN-Latin] Luvox, Floxyfral NCGC00018193-11 (E)-5-Methoxy-1-(4-(trifluoromethyl)phenyl)-pentan-1-one O-(2-aminoethyl) oxime Tox21_110837 AB00514702 AC1Q4JNU BPBio1_001199 CHEBI:5138 DSSTox_RID_80097 I01-8382 NCGC00018193-04 O4L1XPO44W 1-Pentanone, 5-methoxy-1-(4-(trifluoromethyl)phenyl)-, O-(2-aminoethyl)oxime, (E)- ZINC12466082 917096-37-8 AS-15332 C07571 CS-1840 Dumyrox fluvoxamine-CR LS-101999 NCGC00018193-07 (1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one O-(2-aminoethyl)oxime Prestwick3_000995 39F183 AB00513735_05 BDBM50028091 CC-28527 DSSTox_CID_24002 Fluvoxamina FVX Maveral NCGC00021870-04 (E)-5-Methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one O-(2-aminoethyl)oxime Tox21_110837_1 54739-18-3 AC-1679 [ Show all ]
Inchi Key	CJOFXWAVKWHTFT-XSFVSMFZSA-N
Inchi ID	InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
PubChem CID	5324346
ChEMBL	CHEMBL814
IUPHAR	N/A
BindingDB	50028091
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1288.0 nM	PMID12232544	BindingDB

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