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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	GUANFACINE
Molecular formula	C9H9Cl2N3O
IUPAC name	N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide
Molecular weight	246.091
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	2.0
Synonyms	BSPBio_000377 CHEMBL862 EN300-243924 Guanfacine (INN) INJOMKTZOLKMBF-UHFFFAOYSA-N LS-174236 NCGC00015469-03 NSC_3519 SPD 503 API0026077 CAS-29110-48-3 D08031 FT-0669067 Guanfacine [INN:BAN] L013430 N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide NCGC00015469-06 Prestwick2_000339 AC1L1G4B UNII-30OMY4G3MK Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro- BRD-K32830106-003-03-0 CHEBI:5558 DTXSID9046944 Guanfacina [INN-Spanish] Guanfacinum [INN-Latin] Lopac-G-1043 NCGC00015469-01 NCGC00024950-02 30OMY4G3MK SCHEMBL35094 AKOS030255657 C07037 CS-2787 Estulic (Salt/Mix) Guanfacine hydrochloride (Salt/Mix) J-017394 MRF-0000019 NCGC00015469-04 Prestwick0_000339 AB0109150 Tenex (Salt/Mix) BCP09647 CAS_29110-47-2 GTPL522 Guanfacine-13C-15N3 LON 798 (Salt/Mix) N-amidino-2-(2,6-dichlorophenyl)acetamide NCGC00015469-07 29110-47-2 Prestwick3_000339 ACM1189924284 ZINC3872738 Benzeneacetamide,N-(aminoiminomethyl)-2,6-dichloro- BRD-K32830106-003-11-3 EINECS 249-442-8 HY-17416A Lopac0_000519 NCGC00015469-02 NCGC00024950-03 SPBio_002298 AKOS030526130 C9H9Cl2N3O CTK8G0105 Estulic (TN) Guanfacine Monohydrochloride L000286 N-(Diaminomethyliden)-2-(2,6-dichlorophenyl)acetamid NCGC00015469-05 (2,6-dichlorophenylacetyl)-guanidine Prestwick1_000339 AB01563079_01 Tocris-1030 BDBM81984 CCG-204609 DB01018 Guanfacina Guanfacinum Lon798 N-carbamimidoyl-2-(2,6-dichlorophenyl)acetamide NCGC00024950-01 29110-48-3 (mono-hydrochloride) SC-73499 AJ-46369 [(2,6-dichlorophenyl)acetyl]guanidine BPBio1_000415 [ Show all ]
Inchi Key	INJOMKTZOLKMBF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
PubChem CID	3519
ChEMBL	CHEMBL862
IUPHAR	522
BindingDB	81984
DrugBank	DB01018
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	6447.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	630.958 - 3981.07 nM	PMID9605427	IUPHAR
Ki	937.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1120.0 nM	PMID7996470	PDSP,BindingDB
Ki	3890.45 nM	PMID9605427	BindingDB
Ki	3890.45 nM	PMID9605427	PDSP

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