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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	CHEMBL134519
Molecular formula	C11H16INO2
IUPAC name	(2R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
Molecular weight	321.158
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.5
Synonyms	(2R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine 82864-06-0 GTPL157 (R)-2-(4-Iodo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine Benzeneethanamine, 4-iodo-2,5-dimethoxy-alpha-methyl-, (alphaR)- PDSP1_001388 SCHEMBL713061 (r)-1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane AJ-36945 Lopac0_000478 (R)-2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine CCG-204569 PDSP2_001372 (-)-DOI D01TSX ZINC2516053 (R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine BDBM50133231 NCGC00162167-01 (R)-DOI R-DOI [ Show all ]
Inchi Key	BGMZUEKZENQUJY-SSDOTTSWSA-N
Inchi ID	InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
PubChem CID	9840090
ChEMBL	CHEMBL134519
IUPHAR	157
BindingDB	50133231
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.99526 - 39.8107 nM	PMID15322733, PMID9933142, PMID10217294	IUPHAR
Ki	3.98107 nM	PMID12954071	IUPHAR
Ki	4.0 nM	PMID16392816, PMID12954071	BindingDB,ChEMBL

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