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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	apraclonidine
Molecular formula	C9H10Cl2N4
IUPAC name	2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
Molecular weight	245.107
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	1.3
Synonyms	843CEN85DI Aminoclonidine, p Apraclonidinum CHEBI:2788 FT-0602879 L000686 NCGC00162050-01 SCHEMBL34127 2,6-Dichloro-N-imidazolidin-2-ylidene-benzene-1,4-diamine 2-(4-amino-2,6-dichlorophenylimino) imidazolidine AJ-09624 Apraclonidina BDBM81926 D07461 Iopidine Lopac0_000033 p-aminoclonidine 1,4-Benzenediamine, 2,6-dichloro-N'-(4,5-dihydro-1H-imidazol-2-yl)- ZINC20231 2,6-Dichloro-N1-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine 711A215 AL-02145 Apraclonidine (INN) CAS_66711-21-5 DB00964 K093 NCGC00015033-02 PDSP1_000790 2,6-dichloro-N(1)-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine 2-(4-amino-2,6-dichloro)phenyliminoimidazolidine AC-12697 AN-38453 Apraclonidinum [INN-Latin] GTPL7117 L013394 NSC_51763 SMP1_000016 2,6-Dichloro-N-imidazolidin-2-ylidene-benzene-1,4-diamine (p-aminoclonidine) 2-(4-amino-2,6-dichlorophenylimino)imidazolidine 66711-21-5 AKOS016010355 Apraclonidina [INN-Spanish] C07668 D0MT0M Iopidine (TN) LS-176536 P-AMINOCLONIDINE2,6-Dichloro-N-imidazolidin-2-ylidene-benzene-1,4-diamine 1,4-Benzenediamine, 2,6-dichloro-N1-(4,5-dihydro-1H-imidazol-2-yl)- 2,6-DICHLORO-N1-(IMIDAZOLIDIN-2-YLIDENE)BENZENE-1,4-DIAMINE ALO 2145 Apraclonidine [INN:BAN] CCG-204129 DTXSID1048415 KB-226140 NCGC00015033-03 PDSP2_000778 2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine 2-(4-Amino-2,6-dichlorophenylamino)-2-imidazoline AC1L1D6L Aplonidine BDBM50021812 CHEMBL647 IEJXVRYNEISIKR-UHFFFAOYSA-N Lopac-A-0779 p-amino clonidine UNII-843CEN85DI 2,6-Dichloro-N-imidazolidin-2-ylidene-benzene-1,4-diamine(p-Aminoclonidine) 4-Aminoclonidine AKOS025401361 C9H10Cl2N4 Iopidine Eye NCGC00015033-01 para-aminoclonidine 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine 2-((4-Amino-2,6-dichlorophenyl)imino)imidazolidine [ Show all ]
Inchi Key	IEJXVRYNEISIKR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)
PubChem CID	2216
ChEMBL	CHEMBL647
IUPHAR	7117
BindingDB	50021812, 81926
DrugBank	DB00964
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
Ki	2.9 nM	PMID8784451	IUPHAR
Ki	2.9 nM	PMID8784451	BindingDB,ChEMBL
Ki	7.94 nM	PMID9605427	BindingDB

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