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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	CHEMBL601885
Molecular formula	C30H40N4O3S
IUPAC name	N-(cyclohexylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide
Molecular weight	536.735
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.7
Synonyms	BDBM50306839 N-(Cyclohexylmethyl)-N-[3-(4-(2-methoxyphenyl)-piperazin-1-yl)-propyl]quinoline-8-sulfonamide
Inchi Key	AGDOTHDBWYNHAX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H40N4O3S/c1-37-28-15-6-5-14-27(28)33-22-20-32(21-23-33)18-9-19-34(24-25-10-3-2-4-11-25)38(35,36)29-16-7-12-26-13-8-17-31-30(26)29/h5-8,12-17,25H,2-4,9-11,18-24H2,1H3
PubChem CID	46232689
ChEMBL	CHEMBL601885
IUPHAR	N/A
BindingDB	50306839
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	117.9 nM	PMID20096593	BindingDB,ChEMBL

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