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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	Rilmenidine
Molecular formula	C10H16N2O
IUPAC name	N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
Molecular weight	180.251
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	1.2
Synonyms	SR-01000002992 C11120 UNII-P67IM25ID8 FCH842460 Lopac-R-134 N-(Dicyclopropylmethyl)-N-(4,5-dihydro-1,3-oxazol-2-yl)amine NCGC00015884-08 NCGC00021689-06 187R041 Prestwick0_000982 54187-04-1 Rilmenidine [INN] AN-40635 BPBio1_001149 Tenaxum;HYPERIUM CHEBI:8862 DSSTox_GSID_45194 HMS3263M10 LS-100036 NCGC00015884-03 NCGC00015884-11 NSC-664312 2-(dicyclopropylmethylamino) oxazoline Prestwick3_000982 AB07513 S-3341 SCHEMBL114420 C-06746 Tox21_110254_1 CQXADFVORZEARL-UHFFFAOYSA-N EINECS 259-021-0 I14-6505 N-(Dicyclopropylmethyl)-4,5-dihydro-2-oxazolamine; NCGC00015884-06 NCGC00021689-04 Oxazolidine, 2-((dicyclopropylmethyl)imino)- 2-Oxazolamine, N-(dicyclopropylmethyl)-4,5-dihydro- AC1Q4UHN SR-01000002992-3 CAS-54187-04-1 W-105661 DB11738 FT-0630668 Lopac0_001104 NCGC00015884-01 NCGC00015884-09 NCGC00261789-01 2-((Dicyclopropylmethyl)amino)-2-oxazoline Prestwick1_000982 AB00513728-09 Rilmenidinum [Latin] BC220360 BRN 1211287 Tocris-0790 DSSTox_RID_80741 Hyperium Methylamine, 1,1-dicyclopropyl-N-(2-oxazolinyl)- NCGC00015884-04 NCGC00015884-13 NSC664312 2-(Dicyclopropylmethylamino)-2-oxazoline R-134 AB2000100 S-3341-3 SPBio_002944 C10H16N2O Tox21_501104 D08482 EU-0101104 L001230 N-(Dicyclopropylmethyl)-4,5-dihydrooxazol-2-amine NCGC00015884-07 NCGC00021689-05 (N-dicyclopropylmethyl)-amino-2-oxazoline P67IM25ID8 Rilmenidine (INN) AKOS006273431 SR-01000002992-4 CCG-205180 ZINC9708 DSSTox_CID_25194 HMS2089G15 LP01104 NCGC00015884-02 NCGC00015884-10 NCI60_022181 2-((Dicyclopropylmethyl)imino)oxazolidine Prestwick2_000982 AB00514648 S 3341 BDBM50070328 BSPBio_001043 Tox21_110254 CHEMBL289480 DTXSID3045194 Hyperium (TN) N-(Dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine NCGC00015884-05 NCGC00021689-02 Oxaminozoline 2-Oxazolamine, 4,5-dihydro-N-(dicyclopropylmethyl)- Rilmenidia [Spanish] AC1L2AAM S3341 [ Show all ]
Inchi Key	CQXADFVORZEARL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)
PubChem CID	68712
ChEMBL	CHEMBL289480
IUPHAR	N/A
BindingDB	50070328
DrugBank	DB11738
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	6025.6 nM	Bioorg. Med. Chem. Lett., (1994) 4:19:2317	ChEMBL
Ki	6026.0 nM	N/A	BindingDB
Ki	8912.51 nM	Bioorg. Med. Chem. Lett., (1994) 4:19:2317	ChEMBL
Ki	8913.0 nM	N/A	BindingDB

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