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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 1F
Species	Homo sapiens (Human)
Gene	HTR1F
Synonym	5-hydroxytryptamine (serotonin) receptor 1F, G protein-coupled serotonin receptor 1F 5-HT-1F 5-HT1Ebeta HTR1EL 5-HT1F 5-HT1F receptor 5-HT6 [ Show all ]
Disease	Migraine
Length	366
Amino acid sequence	MDFLNSSDQNLTSEELLNRMPSKILVSLTLSGLALMTTTINSLVIAAIIVTRKLHHPANYLICSLAVTDFLVAVLVMPFSIVYIVRESWIMGQVVCDIWLSVDITCCTCSILHLSAIALDRYRAITDAVEYARKRTPKHAGIMITIVWIISVFISMPPLFWRHQGTSRDDECIIKHDHIVSTIYSTFGAFYIPLALILILYYKIYRAAKTLYHKRQASRIAKEEVNGQVLLESGEKSTKSVSTSYVLEKSLSDPSTDFDKIHSTVRSLRSEFKHEKSWRRQKISGTRERKAATTLGLILGAFVICWLPFFVKELVVNVCDKCKISEEMSNFLAWLGYLNSLINPLIYTIFNEDFKKAFQKLVRCRC
UniProt	P30939
Protein Data Bank	N/A
GPCR-HGmod model	P30939
3D structure model	This predicted structure model is from GPCR-EXP P30939.
BioLiP	N/A
Therapeutic Target Database	T78656
ChEMBL	CHEMBL1805
IUPHAR	5
DrugBank	BE0000460, BE0004958

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	Benzeneethanamine, 4-iodo-2,5-dimethoxy-alpha-methyl- CTK8J8388 FT-0666888 NCGC00015302-03 RW3494 (+-)-DOI 2,5-Dimethoxy-4-iodoamphetamine 64584-34-5 AC1L1B0E C11H16INO2 DOI KB-214892 OOM10GW9UE [125I]2,5-dimethoxy-4-iodoamphetamine 1-(2,5-Dimethoxy-4-iodophenyl)-2-aminopropane 2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine AX8051181 DOI-P LS-176383 QC-2023 4-Iodo-2,5-dimethoxy-alpha-methylbenzeneethanamine BGMZUEKZENQUJY-UHFFFAOYSA- D07XTU GTPL147 NCGC00015302-04 SCHEMBL293580 2,5-dimethoxy-4-iodoamphetamine hydrochloride 82830-53-3 AC1Q1QZQ CCG-204558 DOI,(+) L000011 PDSP1_001383 [125I]4-iodo-2,5-dimethoxyphenylisopropylamine 1-(4-Iodo-2,5-dimethoxyphenyl)-2-aminopropane BDBM28582 CHEMBL6616 DTXSID7040520 MFCD05662244 Racemic DOI ( -)-DOI 2,5-dimethoxy 4-iodoamphetamine 4-Iodo-2,5-dimethoxyamphetamine 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 1-(2,5-dimethoxy-4-iodopheny)-2-aminopropane 2,5-Dimethoxy-4-iodophenylisopropylamine 9890AB AKOS015965128 CHEBI:64629 DOI,(-) Lopac0_000466 PDSP2_001367 4-DOI [ 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
Ki	1584.89 nM	PMID8380639	IUPHAR
Ki	1739.0 nM	PMID8380639	PDSP,BindingDB
Ki	2511.88 nM	PMID7984267	PDSP,BindingDB

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