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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	CHEMBL318105
Molecular formula	C13H18N4
IUPAC name	3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-amine
Molecular weight	230.315
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	1.3
Synonyms	BDBM50130462 5-amino-3-(1-methyl-piperidin-4-yl)pyrrolo[3,2-b]pyridine LAOHESRIMKGEEK-UHFFFAOYSA-N 5-amino-3-(1-methylpiperidin-4yl)pyrrolo[3,2-b]pyridine 3-(1-Methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-ylamine 5-amino-3-(1-methyl-piperidin-4yl)pyrrolo[3,2-b]pyridine SCHEMBL7007941 5-amino-3-(1- methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine 5-amino-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine ZINC13523619 [ Show all ]
Inchi Key	LAOHESRIMKGEEK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H18N4/c1-17-6-4-9(5-7-17)10-8-15-11-2-3-12(14)16-13(10)11/h2-3,8-9,15H,4-7H2,1H3,(H2,14,16)
PubChem CID	10220230
ChEMBL	CHEMBL318105
IUPHAR	N/A
BindingDB	50130462
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	100.0 nM	PMID12825944	BindingDB,ChEMBL

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