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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	N-Methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine
Molecular formula	C17H21NO
IUPAC name	N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
Molecular weight	255.361
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.7
Synonyms	I06-1645 N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine NCGC00016056-02 SCHEMBL12047445 63940-51-2 Benzenepropanamine, N-methyl-\|A-(2-methylphenoxy)- LS-177727 N-Methyl-3-(2-methylphenyloxy)-3-phenyl-propanamine NCGC00094449-01 SR-01000076179-1 (R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine AKOS005066737 CHEMBL299052 HMS3263B06 Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine(tomoxetine) PDSP1_000506 VHGCDTVCOLNTBX-UHFFFAOYSA-N BEN725 Lopac0_001202 N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine NCGC00016056-03 SCHEMBL341802 A840467 CCG-205276 Methyl-((R)-3-phenyl-3-o-tolyloxy-propyl)-amine N-Methyl-3-phenyl-3-(2-methylphenoxy)-1-propanamine NCGC00094449-02 T 7947 (R)-N-methyl-gamma-(2-methylphenoxy)-benzenepropanamine Atomoxetine [INN] CHEMBL641 HSDB 7352 N-methyl-3-(2-methylphenoxy)-3-phenyl-1-propanamine N-Methyl-gamma-(2-methyl-phenoxy)benzenepropanamine PDSP2_000504 Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, (gammaR)- LP01202 N-methyl-3-(2-methylphenoxy)-3-phenylpropylamine NCGC00016056-04 SR-01000076179 (+-)-N-methyl-3-(2-methylphenoxy)-3-phenylpropylamine AC1OA87A Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine N-methyl-3-phenyl-3-(o-tolyloxy)-propylamine NCGC00261887-01 Tox21_501202 (S)-Tomoxetine BDBM50022784 EU-0101202 [ Show all ]
Inchi Key	VHGCDTVCOLNTBX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
PubChem CID	6850813
ChEMBL	CHEMBL299052
IUPHAR	N/A
BindingDB	50022784
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	3800.0 nM	PMID7855217	BindingDB

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