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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	CHEMBL102182
Molecular formula	C27H27FN4O
IUPAC name	4-fluoro-N-[3-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
Molecular weight	442.538
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.9
Synonyms	SCHEMBL7011273 4-Fluoro-N-[3-(1-phenethyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide BDBM50130425 KSMURUARAUFRFH-UHFFFAOYSA-N 5-(N-[4-fluorobenzoyl]amino)-3-(1-(2-phenyleth-1-yl)piperidin-4-yl)pyrrolo[3,2-b]pyridine
Inchi Key	KSMURUARAUFRFH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H27FN4O/c28-22-8-6-21(7-9-22)27(33)31-25-11-10-24-26(30-25)23(18-29-24)20-13-16-32(17-14-20)15-12-19-4-2-1-3-5-19/h1-11,18,20,29H,12-17H2,(H,30,31,33)
PubChem CID	10873909
ChEMBL	CHEMBL102182
IUPHAR	N/A
BindingDB	50130425
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	75.0 nM	PMID12825944	BindingDB,ChEMBL

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