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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	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	CAS-78213-63-5 Tox21_110245 CTK5E5513 DSSTox_RID_80735 FT-0610865 KS-00000MQZ 2-(4-(3,4-Methylenedioxybenzyl)piperazino)pyrimidine NCGC00015857-02 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 SPBio_002930 CCG-205045 Trivastal (TN) ES-0016 HY-12707 Lopac0_000965 2-(4-Piperonyl-1-piperazinyl)-Pyrimidine NCGC00015857-05 52293-23-9 (mesylate) Oprea1_061309 AC1L1J3H Piribedile [DCIT] BAS 00638885 PubChem18226 BRD-K47936004-003-03-1 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 NCGC00015857-09 P2054 AK115468 Piribendyl BDBM85092 Pyrimidine, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]- 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 3605-01-4 NCGC00024951-03 AB1006701 Piribedil [INN:DCF] API0004731 Prestwick2_000980 BPBio1_001269 SBI-0050938.P002 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 NCGC00015857-06 605P014 Oprea1_215383 AC1Q6ZYE Piribedilum BC201086 Pyrimidine, 2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)- BRN 0963637 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 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) 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 NSC_4850 AC-1051 Piribedile AX8069130 Prestwick3_000980 BRD-K47936004-001-01-9 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 NCGC00015857-07 78213-63-5 (mono-hydrochloride) OQDPVLVUJFGPGQ-UHFFFAOYSA-N AJ-73947 Piribedilum [INN-Latin] BCP10553 Pyrimidine, 2-(4-piperonyl-1-piperazinyl)- BSPBio_001019 [ 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	794.328 nM	PMID12388666	IUPHAR
Ki	812.83 nM	PMID12388666, PMID11356907	BindingDB
Ki	812.831 nM	PMID11356907	PDSP
Ki	812.831 nM	PMID12388666	PDSP

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