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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL321562
Molecular formula	C21H24N4O2
IUPAC name	2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
Molecular weight	364.449
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.8
Synonyms	BDBM50130454 KAKUZBQFLJYLJD-UHFFFAOYSA-N 5-(N-[2-methoxybenzoyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine SCHEMBL7010678 2-Methoxy-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
Inchi Key	KAKUZBQFLJYLJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24N4O2/c1-25-11-9-14(10-12-25)16-13-22-17-7-8-19(23-20(16)17)24-21(26)15-5-3-4-6-18(15)27-2/h3-8,13-14,22H,9-12H2,1-2H3,(H,23,24,26)
PubChem CID	11111280
ChEMBL	CHEMBL321562
IUPHAR	N/A
BindingDB	50130454
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	20.0 nM	PMID12825944	BindingDB,ChEMBL

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