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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 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	CHEMBL316979
Molecular formula	C21H21FN4O
IUPAC name	N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-fluorobenzamide
Molecular weight	364.424
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.9
Synonyms	KKMBLUZZKPJQGN-UHFFFAOYSA-N 5-(N-[4-fluorobenzoyl]amino)-3-(1-ethyl-1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine N-[3-(1-Ethyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-fluoro-benzamide SCHEMBL7013847 BDBM50130460
Inchi Key	KKMBLUZZKPJQGN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21FN4O/c1-2-26-11-9-14(10-12-26)17-13-23-18-7-8-19(24-20(17)18)25-21(27)15-3-5-16(22)6-4-15/h3-9,13,23H,2,10-12H2,1H3,(H,24,25,27)
PubChem CID	11013959
ChEMBL	CHEMBL316979
IUPHAR	N/A
BindingDB	50130460
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	25.0 nM	PMID12825944	BindingDB,ChEMBL

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