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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	brimonidine
Molecular formula	C11H10BrN5
IUPAC name	5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
Molecular weight	292.14
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	0.6
Synonyms	ZX-AS004769 UK-14,308 NC00638 AK-35795 NCGC00016069-08 BIDD:GT0649 NCGC00023468-05 brimonidinum PDSP2_000635 CCG-205290 ST2406733 CTK5B0525 UK 14,304-18 DSSTox_GSID_45221 FT-0650586 5-bromo-6-(2-imidazolidinylidenamino)quinoxaline IMED608142799 LP01216 A832477 UK14304 NCGC00016069-03 ANW-59812 NCGC00016069-11 NCGC00261901-01 C-18323 SCHEMBL24670 CHEMBL844 Tox21_110299 D0AE3X UK 14308 E6GNX3HHTE (5-bromoquinoxalin-6-yl)-2-imidazolin-2-ylamine GTPL5386 5-Bromo-6-(2-imidazolin-2-ylamino)quinoxaline KS-000048KL 6-Quinoxalinamine, 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)- (9CI) MFCD00153878 AC1Q24IC Z802671510 AGN-190342 NCGC00016069-06 BC215787 NCGC00023468-02 Brimonidine [INN:BAN] Opera_ID_612 CAS-59803-98-4 SR-01000000023-2 CPD000058355 TRA0032007 DB00484 FT-0082636 5-brom-n-(4,5-dihydro-1h-imidazol-2-yl)chinoxalin-6-amin HMS3266O03 5-Bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-quinoxalinamine Lopac-U-104 70359-46-5 (tartrate[1:1]) MolPort-003-959-841 [3H]-UK14304 UK-14304 NCGC00016069-01 AKOS005267239 NCGC00016069-09 BRD-K68264559-001-10-0 NCGC00023468-06 BRN 0751629 SAM002548958 CHEBI:3175 TC-148557 D03ACG UK 14304 DSSTox_RID_80758 GS-3236 5-bromo-6-(2-imidazolin-2-ylamino) quinoxaline KB-197165 59803-98-4 LS-142950 AC-162 UNII-E6GNX3HHTE AC1Q26LW NCGC00016069-04 ARONIS24406 NCGC00016069-12 Brimonidine (bioerodible, extended release) NSC-318825 C07886 SMR000058355 cid_2435 Tox21_110299_1 D0GD9D UK-14,304-18 EN300-50880 HMS3259P09 5-bromo-6-(imidazolidinylideneamino)quinoxaline L000615 6-Quinoxalinamine,5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)- MLS000069370 ZINC21303210 AJ-78420 NCGC00016069-07 BDBM34572 NCGC00023468-04 Brimonidine, 98% PDSP1_000640 CC-25204 SR-01000000023-4 CS-2892 UK 14,304 DSSTox_CID_25221 FT-0630717 5-bromanyl-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine HY-B0659 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine Lopac0_001216 803B984 MRF-0000657 [3H]brimonidine UK14,304 NCGC00016069-02 AN-6804 NCGC00016069-10 brimonidina NCGC00023468-07 Bromoxidine SBB080815 Tocris-0425 D07540 UK 14304-18 DTXSID3045221 (5-Bromo-quinoxalin-6-yl)-(4,5-dihydro-1H-imidazol-2-yl)-amine GTPL520 5-Bromo-6-(2-imidazolin-2-ylamino)-quinoxaline KS-00000F2V 6-Quinoxalinamine, 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)- MCULE-4542695850 AC1L1DO5 XYLJNLCSTIOKRM-UHFFFAOYSA-N AGN 190342 NCGC00016069-05 B4132 NCGC00016069-13 Brimonidine (INN) NSC318825 C11H10BrN5 SR-01000000023 CJ-16916 Tox21_501216 EU-0101216 HMS3263D14 5-Bromo-N-(2-imidazolin-2-yl)-6-quinoxalinamine LK 14304-18 6-Quinoxalinamine,5-dihydro-1H-imidazol-2-yl)- MLS001076349 [ Show all ]
Inchi Key	XYLJNLCSTIOKRM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
PubChem CID	2435
ChEMBL	CHEMBL844
IUPHAR	520
BindingDB	34572
DrugBank	DB00484
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	0.616595 nM	N/A	BindingDB
EC50	0.6166 nM	Bioorg. Med. Chem. Lett., (1995) 5:19:2255	ChEMBL
EC50	0.86 nM	None	ChEMBL
EC50	4.1 nM	PMID9016324	BindingDB,ChEMBL
Emax	91.0 %	None	ChEMBL
IA	0.91 -	PMID9016324	ChEMBL
IC50	298.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Intrinsic activity	1.0 -	Bioorg. Med. Chem. Lett., (1995) 5:19:2255	ChEMBL
Ki	1.99526 - 199.526 nM	PMID9824686, PMID9605427, PMID9760042, PMID9227000	IUPHAR
Ki	2.7 nM	PMID9016324	BindingDB,ChEMBL
Ki	6.761 nM	Bioorg. Med. Chem. Lett., (1995) 5:19:2255	ChEMBL
Ki	112.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	213.796 nM	PMID9605427	PDSP
Ki	213.8 nM	PMID9605427	BindingDB

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