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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	1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
Molecular formula	C11H16INO2
IUPAC name	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	4-DOI AKOS015965128 CHEBI:64629 DOI,(-) Lopac0_000466 PDSP2_001367 2,5-Dimethoxy-4-iodoamphetamine 64584-34-5 Benzeneethanamine, 4-iodo-2,5-dimethoxy-alpha-methyl- CTK8J8388 FT-0666888 NCGC00015302-03 RW3494 (+-)-DOI 1-(2,5-Dimethoxy-4-iodophenyl)-2-aminopropane 2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine AC1L1B0E C11H16INO2 DOI KB-214892 OOM10GW9UE [125I]2,5-dimethoxy-4-iodoamphetamine 4-Iodo-2,5-dimethoxy-alpha-methylbenzeneethanamine AX8051181 DOI-P LS-176383 QC-2023 2,5-dimethoxy-4-iodoamphetamine hydrochloride 82830-53-3 BGMZUEKZENQUJY-UHFFFAOYSA- D07XTU GTPL147 NCGC00015302-04 SCHEMBL293580 1-(4-Iodo-2,5-dimethoxyphenyl)-2-aminopropane AC1Q1QZQ CCG-204558 DOI,(+) L000011 PDSP1_001383 [125I]4-iodo-2,5-dimethoxyphenylisopropylamine 2,5-dimethoxy 4-iodoamphetamine 4-Iodo-2,5-dimethoxyamphetamine BDBM28582 CHEMBL6616 DTXSID7040520 MFCD05662244 Racemic DOI ( -)-DOI 1-(2,5-dimethoxy-4-iodopheny)-2-aminopropane 2,5-Dimethoxy-4-iodophenylisopropylamine 9890AB BGMZUEKZENQUJY-UHFFFAOYSA-N DB-008006 InChI=1/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3 NCGC00162163-01 UNII-OOM10GW9UE [ Show all ]
Inchi Key	BGMZUEKZENQUJY-UHFFFAOYSA-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
PubChem CID	1229
ChEMBL	CHEMBL6616
IUPHAR	147
BindingDB	28582
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	45.71 nM	PMID25583099	ChEMBL
EC50	46.0 nM	PMID25583099	BindingDB
Emax	119.0 %	PMID25583099	ChEMBL
Ki	1.82 nM	PMID9857084	BindingDB,ChEMBL
Ki	2.36 nM	PMID8632342	PDSP,BindingDB
Ki	2.4 nM	PMID9933142	PDSP,BindingDB
Ki	2.51 - 63.1 nM	PMID9933142, PMID12970106, PMID10611640	IUPHAR
Ki	5.37 nM	PMID15322733	BindingDB
Ki	5.37032 nM	PMID15322733	PDSP
Ki	7.94 nM	PMID10498829	BindingDB
Ki	7.94328 nM	PMID10498829	PDSP
Ki	8.31764 nM	PMID15322733	PDSP
Ki	8.32 nM	PMID15322733	BindingDB
Ki	18.62 nM	PMID11882920	BindingDB
Ki	18.6209 nM	PMID11882920	PDSP

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