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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	RS-102221
Molecular formula	C27H31F3N4O7S
IUPAC name	N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide
Molecular weight	612.621
Hydrogen bond acceptor	12
Hydrogen bond donor	3
XlogP	2.7
Synonyms	N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide RS-102,221 BDBM85098 GTPL187 NCGC00024967-01 RS102221 HCl BRD-K87048468-003-01-9 N-[5-[5-(1,3-dioxo-2,4,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide PDSP2_001617 ZINC26580328 185376-97-0 CHEMBL88402 N-{5-[5-(2,4-dioxo -1,3,8-triazaspiro[4.5]dec-8-yl)pentanoyl]-2,4-dimethoxyphenyl}-4-trifluoromethylbenzenesulfonamide AC1MW45U Biomol-NT_000133 HZZZZODVDSHQRG-UHFFFAOYSA-N NCGC00024967-02 SCHEMBL7107338 CHEBI:93519 N-[5-[5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxopentyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide RS 102221 HCl D0U9HE N-{5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]dec-8-yl)pentanoyl] -2,4-dimethoxyphenyl}-4-(trifluoromethyl)benzenesulfonamide RS102221 BCP03496 BPBio1_000243 L000523 PDSP1_001633 Tocris-1050 [ Show all ]
Inchi Key	HZZZZODVDSHQRG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37)
PubChem CID	3693566
ChEMBL	CHEMBL88402
IUPHAR	187
BindingDB	85098
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1.5 nM	PMID26988801, PMID27876250	BindingDB,ChEMBL
IC50	2.7 nM	PMID23466604	ChEMBL
IC50	5.5 nM	PMID23582449	ChEMBL
IC50	8.3 nM	PMID18983139	ChEMBL
Ki	0.6 nM	PMID25557493, PMID24805037	ChEMBL
Ki	0.6 nM	PMID25557493, PMID24805037	BindingDB
Ki	0.91 nM	PMID23466604	ChEMBL
Ki	1.48 nM	PMID11882920	BindingDB
Ki	1.995 nM	Bioorg. Med. Chem. Lett., (1996) 6:22:2687	ChEMBL
Ki	2.0 nM	N/A	BindingDB
Ki	3.8 nM	PMID9225287	BindingDB
Ki	3.9 nM	PMID18983139	ChEMBL
Ki	3.98 - 5.01 nM	PMID15322733, PMID9225287	IUPHAR
Ki	5.01 nM	PMID15322733	BindingDB
Ki	7.41 nM	PMID9225287	BindingDB

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