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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	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	1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)piperidine Benodain DSSTox_GSID_46269 LS-34478 Piperidine, 1-(1,4-benzodioxan-2-ylmethyl)- Piperoxano 1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidine AC1L1LO6 CAS-59-39-2 F933 NCGC00160643-01 Piperoxanum [INN-Latin] 1,4-Benzodioxane, 2-(piperidinomethyl)- 2-Piperidinomethyl-1,4-benzodioxane BCP19333 D04PYQ KS-00000040 Piperidine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)- Piperoxane 1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)piperidine # 59-39-2 Benodaine DSSTox_RID_81496 LYKMMUBOEFYJQG-UHFFFAOYSA-N Piperidine,1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]- Piperoxano [INN-Spanish] 059P392 1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidine(Piperoxan) AKOS030227988 Forneau 933 PDSP1_001101 Piperoxan [INN:BAN] SCHEMBL83631 1-((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperidine 5-20-03-00452 (Beilstein Handbook Reference) BDBM50017720 DSSTox_CID_26269 L001002 Piperidine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)- (9CI) Piperoxane [INN-French] 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine 933F BRN 0222516 DTXSID1046269 MolPort-003-823-464 Piperidinomethylbenzodioxan Piperoxanum 1,4-BENZODIOXAN, 2-(PIPERIDINOMETHYL)- 2-Piperidinomethyl-1,4-benzodioxan AN-41783 CHEMBL31836 Fourneau 933 PDSP2_001085 PIPEROXAN1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidine Tox21_111950 [ 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	5.4 nM	PMID1656026	BindingDB
pC30	6.22 -	PMID6142954	ChEMBL

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