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GPCR

Name	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL319
IUPHAR	22
DrugBank	N/A

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	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 CHEMBL862 EN300-243924 Guanfacine (INN) INJOMKTZOLKMBF-UHFFFAOYSA-N LS-174236 NCGC00015469-03 NSC_3519 SPD 503 API0026077 BSPBio_000377 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- CHEBI:5558 DTXSID9046944 Guanfacina [INN-Spanish] Guanfacinum [INN-Latin] Lopac-G-1043 NCGC00015469-01 NCGC00024950-02 30OMY4G3MK SCHEMBL35094 AKOS030255657 BRD-K32830106-003-03-0 CS-2787 Estulic (Salt/Mix) Guanfacine hydrochloride (Salt/Mix) J-017394 MRF-0000019 NCGC00015469-04 Prestwick0_000339 AB0109150 Tenex (Salt/Mix) BCP09647 C07037 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- EINECS 249-442-8 HY-17416A Lopac0_000519 NCGC00015469-02 NCGC00024950-03 SPBio_002298 AKOS030526130 BRD-K32830106-003-11-3 [ 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	1348.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	546.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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