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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL319
IUPHAR	22
DrugBank	N/A

Ligand

Name	Piperoxan
Molecular formula	C14H19NO2
IUPAC name	1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
Molecular weight	233.311
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.6
Synonyms	AC1L1LO6 CAS-59-39-2 F933 NCGC00160643-01 Piperoxanum [INN-Latin] 1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidine BCP19333 D04PYQ KS-00000040 Piperidine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)- Piperoxane 1,4-Benzodioxane, 2-(piperidinomethyl)- 2-Piperidinomethyl-1,4-benzodioxane 59-39-2 Benodaine DSSTox_RID_81496 LYKMMUBOEFYJQG-UHFFFAOYSA-N Piperidine,1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]- Piperoxano [INN-Spanish] 1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)piperidine # AKOS030227988 Forneau 933 PDSP1_001101 Piperoxan [INN:BAN] SCHEMBL83631 059P392 1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidine(Piperoxan) BDBM50017720 DSSTox_CID_26269 L001002 Piperidine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)- (9CI) Piperoxane [INN-French] 1-((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperidine 5-20-03-00452 (Beilstein Handbook Reference) 933F BRN 0222516 DTXSID1046269 MolPort-003-823-464 Piperidinomethylbenzodioxan Piperoxanum 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine AN-41783 CHEMBL31836 Fourneau 933 PDSP2_001085 PIPEROXAN1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidine Tox21_111950 1,4-BENZODIOXAN, 2-(PIPERIDINOMETHYL)- 2-Piperidinomethyl-1,4-benzodioxan Benodain DSSTox_GSID_46269 LS-34478 Piperidine, 1-(1,4-benzodioxan-2-ylmethyl)- Piperoxano 1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)piperidine [ Show all ]
Inchi Key	LYKMMUBOEFYJQG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H19NO2/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12/h2-3,6-7,12H,1,4-5,8-11H2
PubChem CID	6040
ChEMBL	CHEMBL31836
IUPHAR	N/A
BindingDB	50017720
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	95.0 nM	PMID17827	BindingDB
Ki	180.0 nM	PMID17827	BindingDB
Ki	400.0 nM	PMID2876905	BindingDB

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