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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	Mus musculus (Mouse)
Gene	Adra2a
Synonym	alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2AAR Alpha-2A adrenoreceptor Alpha-2A adrenoceptor adrenergic receptor Adrenergic alpha 2A receptor ADRA2R ADRA2 Adra-2a Adra-2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	450
Amino acid sequence	MGSLQPDAGNSSWNGTEAPGGGTRATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKVWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISIEKKGAGGGQQPAEPSCKINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDACSAPPGGADRRPNGLGPERGAGPTGAEAEPLPTQLNGAPGEPAPAGPRDGDALDLEESSSSEHAERPPGPRRPDRGPRAKGKTRASQVKPGDSLPRRGPGAAGPGASGSGHGEERGGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLIAVGCPVPSQLFNFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	Q01338
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	CHEMBL4075
IUPHAR	N/A
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	LS-174236 NCGC00015469-03 NSC_3519 SPD 503 API0026077 BSPBio_000377 CHEMBL862 EN300-243924 Guanfacine (INN) INJOMKTZOLKMBF-UHFFFAOYSA-N N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide NCGC00015469-06 Prestwick2_000339 AC1L1G4B UNII-30OMY4G3MK Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro- CAS-29110-48-3 D08031 FT-0669067 Guanfacine [INN:BAN] L013430 Lopac-G-1043 NCGC00015469-01 NCGC00024950-02 30OMY4G3MK SCHEMBL35094 AKOS030255657 BRD-K32830106-003-03-0 CHEBI:5558 DTXSID9046944 Guanfacina [INN-Spanish] Guanfacinum [INN-Latin] MRF-0000019 NCGC00015469-04 Prestwick0_000339 AB0109150 Tenex (Salt/Mix) BCP09647 C07037 CS-2787 Estulic (Salt/Mix) Guanfacine hydrochloride (Salt/Mix) J-017394 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- CAS_29110-47-2 GTPL522 Guanfacine-13C-15N3 Lopac0_000519 NCGC00015469-02 NCGC00024950-03 SPBio_002298 AKOS030526130 BRD-K32830106-003-11-3 EINECS 249-442-8 HY-17416A N-(Diaminomethyliden)-2-(2,6-dichlorophenyl)acetamid NCGC00015469-05 (2,6-dichlorophenylacetyl)-guanidine Prestwick1_000339 AB01563079_01 Tocris-1030 BDBM81984 C9H9Cl2N3O CTK8G0105 Estulic (TN) Guanfacine Monohydrochloride L000286 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 CCG-204609 DB01018 Guanfacina Guanfacinum [ 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
Ki	20.42 nM	PMID9605427	BindingDB

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