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GPCR

Name	Alpha-2C adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2C
Synonym	alpha2-C4 Adra-2c ADRA2L2 ADRA2RL2 Adrenergic alpha2C- receptor class I adrenergic receptor alpha-2 adrenergic receptor subtype C4 alpha2C-adrenoceptor alpha-2C adrenergic receptor Alpha-2C adrenoceptor alpha-2C adrenoreceptor Alpha-2CAR [ Show all ]
Disease	Diabetic nephropathy; Fibromyalgia Hypertension Heart failure Glaucoma Alzheimer disease Asthma Erythema Contusion Depression Hypotension Male sexual disorders Neurological disease Obesity Ocular disease Allergic rhinitis Alcohol use disorders Ocular hypertension Poison intoxication Peptic ulcer Pain [ Show all ]
Length	462
Amino acid sequence	MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGALRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
UniProt	P18825
Protein Data Bank	N/A
GPCR-HGmod model	P18825
3D structure model	This predicted structure model is from GPCR-EXP P18825.
BioLiP	N/A
Therapeutic Target Database	T01777
ChEMBL	CHEMBL1916
IUPHAR	27
DrugBank	BE0004864, BE0000342, BE0004888

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	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 AC1Q26LW NCGC00016069-04 ARONIS24406 NCGC00016069-12 Brimonidine (bioerodible, extended release) XYLJNLCSTIOKRM-UHFFFAOYSA-N 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 AJ-78420 NCGC00016069-07 BDBM34572 NCGC00023468-04 UK-14,308 ZX-AS004769 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 NCGC00016069-02 AN-6804 NCGC00016069-10 brimonidina UK14304 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 AGN 190342 NCGC00016069-05 B4132 NCGC00016069-13 Z802671510 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 NC00638 AK-35795 NCGC00016069-08 BIDD:GT0649 NCGC00023468-05 UK-14304 [3H]-UK14304 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 NCGC00016069-03 ANW-59812 NCGC00016069-11 UNII-E6GNX3HHTE 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 AGN-190342 NCGC00016069-06 BC215787 NCGC00023468-02 ZINC21303210 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 NCGC00016069-01 AKOS005267239 NCGC00016069-09 BRD-K68264559-001-10-0 UK14,304 [3H]brimonidine [ 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	3.4 nM	PMID9016324	BindingDB,ChEMBL
EC50	8.0 nM	None	ChEMBL
EC50	9.5 nM	N/A	BindingDB
EC50	9.55 nM	Bioorg. Med. Chem. Lett., (1995) 5:19:2255	ChEMBL
Emax	93.0 %	None	ChEMBL
IA	0.82 -	PMID9016324	ChEMBL
Intrinsic activity	1.0 -	Bioorg. Med. Chem. Lett., (1995) 5:19:2255	ChEMBL
Ki	25.1189 - 1995.26 nM	PMID9824686, PMID9605427, PMID9760042, PMID9227000	IUPHAR
Ki	44.0 nM	PMID9016324	BindingDB,ChEMBL
Ki	83.0 nM	N/A	BindingDB
Ki	83.18 nM	Bioorg. Med. Chem. Lett., (1995) 5:19:2255	ChEMBL
Ki	1949.84 nM	PMID9605427	BindingDB
Ki	1949.84 nM	PMID9605427	PDSP

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