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GLASS

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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	CHEMBL195351
Molecular formula	C24H23F3N4O2
IUPAC name	(E)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
Molecular weight	456.469
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.8
Synonyms	SCHEMBL5910563 BDBM50172430 SCHEMBL5910558 (E)-N-(4-Methyl-2-piperazin-1-yl-quinolin-6-yl)-3-(4-trifluoromethoxy-phenyl)-acrylamide
Inchi Key	FXDDFPUEYPXKQX-RUDMXATFSA-N
Inchi ID	InChI=1S/C24H23F3N4O2/c1-16-14-22(31-12-10-28-11-13-31)30-21-8-5-18(15-20(16)21)29-23(32)9-4-17-2-6-19(7-3-17)33-24(25,26)27/h2-9,14-15,28H,10-13H2,1H3,(H,29,32)/b9-4+
PubChem CID	10456755
ChEMBL	CHEMBL195351
IUPHAR	N/A
BindingDB	50172430
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1100.0 nM	PMID16134937	BindingDB,ChEMBL

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