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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	CHEMBL3633650
Molecular formula	C23H25N3O3
IUPAC name	2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-(2-phenyl-1H-indol-3-yl)ethanone
Molecular weight	391.471
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.6
Synonyms	AKOS027324569 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-(2-phenyl-1H-indol-3-yl)ethanone 950034-18-1 ZINC57473783 BDBM50133676 2-{methyl[2-(morpholin-4-yl)-2-oxoethyl]amino}-1-(2-phenyl-1H-indol-3-yl)ethan-1-one MolPort-005-659-662 AC1PJFPF Z90240217 [ Show all ]
Inchi Key	FRUZIJBUVKTDFU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25N3O3/c1-25(16-21(28)26-11-13-29-14-12-26)15-20(27)22-18-9-5-6-10-19(18)24-23(22)17-7-3-2-4-8-17/h2-10,24H,11-16H2,1H3
PubChem CID	9044803
ChEMBL	CHEMBL3633650
IUPHAR	N/A
BindingDB	50133676
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	213796.0 nM	PMID26516782	BindingDB
IC50	213796.0 nM	PMID26516782	ChEMBL
IC50	214000.0 nM	PMID26516782	BindingDB,ChEMBL

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