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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	AMG-076 free base
Molecular formula	C26H33F3N2O2
IUPAC name	1-[2-[(4aR,11R,11aS)-11-methyl-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]ethyl]cyclohexane-1-carboxylic acid
Molecular weight	462.557
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.8
Synonyms	(4aR)-2-[2-(1-Carboxycyclohexyl)ethyl]-2,3,4,4abeta,5,6,11,11aalpha-octahydro-9-(trifluoromethyl)-11alpha-methyl-1H-pyrido[4,3-b]carbazole Cyclohexanecarboxylic acid, 1-(2-((4aR,11R,11aS)-1,3,4,4a,5,6,11,11a-octahydro-11-methyl-9-(trifluoromethyl)-2H-pyrido(4,3-b)carbazol-2-yl)ethyl)- 693823-79-9 HX4T7JEV3D 1-(2-((4aR,11R,11aS)-11-methyl-9-(trifluoromethyl)-3,4,4a,5,11,11a-hexahydro-1H-pyrido[4,3-b]carbazol-2(6H)-yl)ethyl)cyclohexanecarboxylic acid D0X4MC SCHEMBL2742722 CHEMBL2032049 DTXSID70219485 BDBM50383522 UNII-HX4T7JEV3D [ Show all ]
Inchi Key	WAOZNBXSEVIAGX-MBOZVWFJSA-N
Inchi ID	InChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
PubChem CID	10004545
ChEMBL	CHEMBL2032049
IUPHAR	N/A
BindingDB	50383522
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	1140.0 nM	PMID22542010	BindingDB,ChEMBL
Ki	1120.0 nM	PMID22542010	BindingDB,ChEMBL

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