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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	CHEMBL61819
Molecular formula	C23H29N3O2S
IUPAC name	6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-1,3-benzothiazol-2-one
Molecular weight	411.564
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.4
Synonyms	6-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-methyl-3H-benzothiazol-2-one 3-Methyl-6-[4-[4-(2-methoxyphenyl)piperazino]butyl]benzothiazol-2(3H)-one BDBM50064589
Inchi Key	IUIOIGDUPSHYOT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H29N3O2S/c1-24-20-11-10-18(17-22(20)29-23(24)27)7-5-6-12-25-13-15-26(16-14-25)19-8-3-4-9-21(19)28-2/h3-4,8-11,17H,5-7,12-16H2,1-2H3
PubChem CID	10501785
ChEMBL	CHEMBL61819
IUPHAR	N/A
BindingDB	50064589
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	240.0 nM	PMID9622542	BindingDB,ChEMBL

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