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GPCR

Name	5-hydroxytryptamine receptor 2C
Species	Homo sapiens (Human)
Gene	HTR2C
Synonym	Serotonin receptor 2C serotonin 1c receptor 5-HT1C 5-HT2C 5-HT-2C 5-HT2C receptor 5-HTR2C 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled 5-hydroxytryptamine receptor 1C HTR1C 5-HT-1C [ Show all ]
Disease	Pain Sleep initiation and maintenance disorders; Primary insomnia; Schizophrenia Unspecified Depression Drug abuse Generalized anxiety disorder; Major depressive disorder Major depressive disorder Metabolic disorders Psychotic disorders Mood disorder Neurological disease Obesity Obesity; Diabetes Migraine headaches Anxiety disorder Alcohol use disorders Aggressive non-hodgkin's lymphoma [ Show all ]
Length	458
Amino acid sequence	MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV
UniProt	P28335
Protein Data Bank	6bqg, 6bqh
GPCR-HGmod model	P28335
3D structure model	This structure is from PDB ID 6bqg.
BioLiP	BL0404805, BL0404806
Therapeutic Target Database	T83813
ChEMBL	CHEMBL225
IUPHAR	8
DrugBank	BE0004957, BE0004881, BE0000533

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	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 Prestwick2_000339 AC1L1G4B BRD-K32830106-003-03-0 CHEBI:5558 DTXSID9046944 Guanfacina [INN-Spanish] Guanfacinum [INN-Latin] Lopac-G-1043 NCGC00015469-01 NCGC00024950-02 30OMY4G3MK SCHEMBL35094 AKOS030255657 BCP09647 C07037 CS-2787 Estulic (Salt/Mix) Guanfacine hydrochloride (Salt/Mix) J-017394 MRF-0000019 NCGC00015469-04 Prestwick0_000339 AB0109150 Tenex (Salt/Mix) 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 Prestwick3_000339 ACM1189924284 AKOS030526130 BRD-K32830106-003-11-3 EINECS 249-442-8 HY-17416A Lopac0_000519 NCGC00015469-02 NCGC00024950-03 SPBio_002298 BDBM81984 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 [(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) SC-73499 AJ-46369 API0026077 BSPBio_000377 CHEMBL862 EN300-243924 Guanfacine (INN) INJOMKTZOLKMBF-UHFFFAOYSA-N LS-174236 NCGC00015469-03 NSC_3519 SPD 503 [ 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	1453.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	761.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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