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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	piribedil
Molecular formula	C16H18N4O2
IUPAC name	2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine
Molecular weight	298.346
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	1.8
Synonyms	NSC_4850 AC-1051 Piribedile AX8069130 Prestwick3_000980 BRD-K47936004-001-01-9 SCHEMBL150101 CC-33826 Trivastal D07GXY EINECS 222-764-6 HMS2089M17 Lopac-P-9233 2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-pyrimidine NCGC00015857-04 NCGC00015857-07 78213-63-5 (mono-hydrochloride) OQDPVLVUJFGPGQ-UHFFFAOYSA-N AJ-73947 Piribedilum [INN-Latin] BCP10553 Pyrimidine, 2-(4-piperonyl-1-piperazinyl)- BSPBio_001019 SR-01000076091-11 UNII-DO22K1PRDJ DO22K1PRDJ ET-495 Jsp000012 1-(2-Pyrimidyl)-4-piperonylpiperazine MCULE-1529810865 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}pyrimidine NCGC00024951-02 AB00514645-19 Piribedil (INN) AN-15613 Prestwick1_000980 BPBio1_001121 R416 CAS-78213-63-5 Tox21_110245 CTK5E5513 DSSTox_RID_80735 FT-0610865 KS-00000MQZ 2-(4-(3,4-Methylenedioxybenzyl)piperazino)pyrimidine NCGC00015857-02 NCGC00015857-05 52293-23-9 (mesylate) Oprea1_061309 AC1L1J3H Piribedile [DCIT] BAS 00638885 PubChem18226 BRD-K47936004-003-03-1 SPBio_002930 CCG-205045 Trivastal (TN) ES-0016 HY-12707 Lopac0_000965 2-(4-Piperonyl-1-piperazinyl)-Pyrimidine NCGC00015857-09 P2054 AK115468 Piribendyl BDBM85092 Pyrimidine, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]- Cambridge id 5268291 STL497889 CHEMBL1371770 Z31240640 DSSTox_CID_25188 EU 4200 K-0055 1-(3,4-Methylenedioxybenzyl)-4-(2-pyrimidyl)piperazine MolPort-001-900-168 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine 3605-01-4 NCGC00024951-03 AB1006701 Piribedil [INN:DCF] API0004731 Prestwick2_000980 BPBio1_001269 SBI-0050938.P002 CAS_3605-01-4 Tox21_110245_1 D07305 DTXSID9045188 GTPL49 L000476 2-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)pyrimidine NCGC00015857-03 NCGC00015857-06 605P014 Oprea1_215383 AC1Q6ZYE Piribedilum BC201086 Pyrimidine, 2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)- BRN 0963637 SR-01000076091 CHEBI:92833 Trivastan DB12478 ET 495 J10201 1-(2-Pyrimidyl)-4-(3,4-methylenedioxybenzyl)piperazine LS-135515 2-(4-Piperonyl-1-piperazinyl)pyrimidine 2-[4-(3,4-methylenedioxybenzyl)piperazino]pyrimidine NCGC00024951-01 AB00514645 AKOS001309525 Prestwick0_000980 Biomol-NT_000044 Pyrimidine,2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-, hydrochloride (1:1) CAS-3605-01-4 Tocris-1031 CS-8014 ZINC19537374 DSSTox_GSID_45188 EU-4200 KB-166579 2-(4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl)pyrimidine NCGC00015857-01 [ Show all ]
Inchi Key	OQDPVLVUJFGPGQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2
PubChem CID	4850
ChEMBL	CHEMBL1371770
IUPHAR	49
BindingDB	85092
DrugBank	DB12478
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	79.4328 nM	PMID12388666	IUPHAR
Ki	89.1251 nM	PMID12388666	PDSP
Ki	89.1251 nM	PMID11356907	PDSP
Ki	89.13 nM	PMID12388666, PMID11356907	BindingDB

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