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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	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	NCGC00021689-02 Oxaminozoline 2-Oxazolamine, 4,5-dihydro-N-(dicyclopropylmethyl)- Rilmenidia [Spanish] AC1L2AAM S3341 BSPBio_001043 Tox21_110254 CHEMBL289480 DTXSID3045194 Hyperium (TN) N-(Dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine NCGC00015884-05 NCGC00021689-06 187R041 Prestwick0_000982 54187-04-1 Rilmenidine [INN] AN-40635 SR-01000002992 C11120 UNII-P67IM25ID8 FCH842460 Lopac-R-134 N-(Dicyclopropylmethyl)-N-(4,5-dihydro-1,3-oxazol-2-yl)amine NCGC00015884-08 NCGC00015884-11 NSC-664312 2-(dicyclopropylmethylamino) oxazoline Prestwick3_000982 AB07513 S-3341 BPBio1_001149 Tenaxum;HYPERIUM CHEBI:8862 DSSTox_GSID_45194 HMS3263M10 LS-100036 NCGC00015884-03 NCGC00021689-04 Oxazolidine, 2-((dicyclopropylmethyl)imino)- 2-Oxazolamine, N-(dicyclopropylmethyl)-4,5-dihydro- AC1Q4UHN SCHEMBL114420 C-06746 Tox21_110254_1 CQXADFVORZEARL-UHFFFAOYSA-N EINECS 259-021-0 I14-6505 N-(Dicyclopropylmethyl)-4,5-dihydro-2-oxazolamine; NCGC00015884-06 NCGC00261789-01 2-((Dicyclopropylmethyl)amino)-2-oxazoline Prestwick1_000982 AB00513728-09 Rilmenidinum [Latin] BC220360 SR-01000002992-3 CAS-54187-04-1 W-105661 DB11738 FT-0630668 Lopac0_001104 NCGC00015884-01 NCGC00015884-09 NCGC00015884-13 NSC664312 2-(Dicyclopropylmethylamino)-2-oxazoline R-134 AB2000100 S-3341-3 BRN 1211287 Tocris-0790 DSSTox_RID_80741 Hyperium Methylamine, 1,1-dicyclopropyl-N-(2-oxazolinyl)- NCGC00015884-04 NCGC00021689-05 (N-dicyclopropylmethyl)-amino-2-oxazoline P67IM25ID8 Rilmenidine (INN) AKOS006273431 SPBio_002944 C10H16N2O Tox21_501104 D08482 EU-0101104 L001230 N-(Dicyclopropylmethyl)-4,5-dihydrooxazol-2-amine NCGC00015884-07 NCGC00015884-10 NCI60_022181 2-((Dicyclopropylmethyl)imino)oxazolidine Prestwick2_000982 AB00514648 S 3341 BDBM50070328 SR-01000002992-4 CCG-205180 ZINC9708 DSSTox_CID_25194 HMS2089G15 LP01104 NCGC00015884-02 [ 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
	N/A	N/A	DrugBank
EC50	177.83 nM	PMID27265687	ChEMBL
EC50	178.0 nM	PMID27265687	BindingDB
EC50	275.0 nM	N/A	BindingDB
EC50	275.42 nM	Bioorg. Med. Chem. Lett., (1994) 4:19:2317	ChEMBL
Intrinsic activity	54.0 %	PMID27265687	ChEMBL
Ki	36.31 nM	PMID22750139	ChEMBL
Ki	181.97 nM	Bioorg. Med. Chem. Lett., (1994) 4:19:2317	ChEMBL
Ki	182.0 nM	N/A	BindingDB
Ki	300.0 nM	PMID27265687	BindingDB,ChEMBL

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