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GPCR

Name	Alpha-2B adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2B
Synonym	alpha2-C2 alpha2B alpha2B-adrenoceptor Alpha-2BAR alpha-2B adrenoreceptor Alpha-2B adrenoceptor alpha-2B adrenergic receptor Alpha-2 adrenergic receptor subtype C2 adrenergic receptor Adrenergic alpha2B- receptor class III ADRA2RL1 ADRA2L1 Adra-2b [ Show all ]
Disease	Neuropathic pain Alcohol use disorders
Length	450
Amino acid sequence	MDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAKRSNRRGPRAKGGPGQGESKQPRPDHGGALASAKLPALASVASAREVNGHSKSTGEKEEGETPEDTGTRALPPSWAALPNSGQGQKEGVCGASPEDEAEEEEEEEEEEEECEPQAVPVSPASACSPPLQQPQGSRVLATLRGQVLLGRGVGAIGGQWWRRRAQLTREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPKHCKVPHGLFQFFFWIGYCNSSLNPVIYTIFNQDFRRAFRRILCRPWTQTAW
UniProt	P18089
Protein Data Bank	N/A
GPCR-HGmod model	P18089
3D structure model	This predicted structure model is from GPCR-EXP P18089.
BioLiP	N/A
Therapeutic Target Database	T41580
ChEMBL	CHEMBL1942
IUPHAR	26
DrugBank	BE0000572

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	SPBio_002298 AKOS030526130 BRD-K32830106-003-11-3 EINECS 249-442-8 HY-17416A Lopac0_000519 NCGC00015469-02 NCGC00024950-03 Prestwick1_000339 AB01563079_01 Tocris-1030 BDBM81984 C9H9Cl2N3O CTK8G0105 Estulic (TN) Guanfacine Monohydrochloride L000286 N-(Diaminomethyliden)-2-(2,6-dichlorophenyl)acetamid NCGC00015469-05 (2,6-dichlorophenylacetyl)-guanidine SC-73499 AJ-46369 [(2,6-dichlorophenyl)acetyl]guanidine BPBio1_000415 CCG-204609 DB01018 Guanfacina Guanfacinum Lon798 N-carbamimidoyl-2-(2,6-dichlorophenyl)acetamide NCGC00024950-01 29110-48-3 (mono-hydrochloride) SPD 503 API0026077 BSPBio_000377 CHEMBL862 EN300-243924 Guanfacine (INN) INJOMKTZOLKMBF-UHFFFAOYSA-N LS-174236 NCGC00015469-03 NSC_3519 Prestwick2_000339 AC1L1G4B UNII-30OMY4G3MK Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro- CAS-29110-48-3 D08031 FT-0669067 Guanfacine [INN:BAN] L013430 N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide NCGC00015469-06 SCHEMBL35094 AKOS030255657 BRD-K32830106-003-03-0 CHEBI:5558 DTXSID9046944 Guanfacina [INN-Spanish] Guanfacinum [INN-Latin] Lopac-G-1043 NCGC00015469-01 NCGC00024950-02 30OMY4G3MK AB0109150 Tenex (Salt/Mix) BCP09647 C07037 CS-2787 Estulic (Salt/Mix) Guanfacine hydrochloride (Salt/Mix) J-017394 MRF-0000019 NCGC00015469-04 Prestwick0_000339 Prestwick3_000339 ACM1189924284 ZINC3872738 Benzeneacetamide,N-(aminoiminomethyl)-2,6-dichloro- CAS_29110-47-2 GTPL522 Guanfacine-13C-15N3 LON 798 (Salt/Mix) N-amidino-2-(2,6-dichlorophenyl)acetamide NCGC00015469-07 29110-47-2 [ 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
	N/A	N/A	DrugBank
IC50	249.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	114.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	316.228 - 1584.89 nM	PMID9605427	IUPHAR
Ki	1020.0 nM	PMID7996470	PDSP,BindingDB
Ki	1380.38 nM	PMID9605427	BindingDB
Ki	1380.38 nM	PMID9605427	PDSP

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