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GPCR

Name	Thyrotropin-releasing hormone receptor
Species	Homo sapiens (Human)
Gene	TRHR
Synonym	Thyroliberin receptor TRH receptor TRH-R TRH-R1 TRH1 receptor
Disease	Unspecified Pain Neurodegenerative disease Endocrine disease Cognitive disorders CNS stimulant [ Show all ]
Length	398
Amino acid sequence	MENETVSELNQTQLQPRAVVALEYQVVTILLVLIICGLGIVGNIMVVLVVMRTKHMRTPTNCYLVSLAVADLMVLVAAGLPNITDSIYGSWVYGYVGCLCITYLQYLGINASSCSITAFTIERYIAICHPIKAQFLCTFSRAKKIIIFVWAFTSLYCMLWFFLLDLNISTYKDAIVISCGYKISRNYYSPIYLMDFGVFYVVPMILATVLYGFIARILFLNPIPSDPKENSKTWKNDSTHQNTNLNVNTSNRCFNSTVSSRKQVTKMLAVVVILFALLWMPYRTLVVVNSFLSSPFQENWFLLFCRICIYLNSAINPVIYNLMSQKFRAAFRKLCNCKQKPTEKPANYSVALNYSVIKESDHFSTELDDITVTDTYLSATKVSFDDTCLASEVSFSQS
UniProt	P34981
Protein Data Bank	N/A
GPCR-HGmod model	P34981
3D structure model	This predicted structure model is from GPCR-EXP P34981.
BioLiP	N/A
Therapeutic Target Database	T77796
ChEMBL	CHEMBL1810
IUPHAR	363
DrugBank	BE0008659

Ligand

Name	SMR000105815
Molecular formula	C13H11F3N2O2
IUPAC name	9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one
Molecular weight	284.238
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.5
Synonyms	AKOS022111467 MCULE-7761146390 6,7,8,9-Tetrahydro-9-methyl-4-trifluoromethyl-2H-pyrano[2,3-b][1,8]naphthyridin-2-one CHEMBL1479965 9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one DFTKAPQWXBEJOB-UHFFFAOYSA-N BDBM50850 MLS000109880 9-Methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-2H-pyrano[2,3-b][1,8]naphthyridin-2-one cid_535721 STL328182 AC1LBH9A HMS2343O24 4-(Trifluoromethyl)-8-methyl-5,6,7,8-tetrahydro-2H-1-oxa-8,9-diazaanthracene-2-one MolPort-002-557-009 9-Methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-2H-pyrano[2,3-b][1,8]naphthyridin-2-one # CTK7H7319 ZINC4477688 [ Show all ]
Inchi Key	DFTKAPQWXBEJOB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H11F3N2O2/c1-18-4-2-3-7-5-8-9(13(14,15)16)6-10(19)20-12(8)17-11(7)18/h5-6H,2-4H2,1H3
PubChem CID	535721
ChEMBL	CHEMBL1479965
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	18356.4 nM	PubChem BioAssay data set	ChEMBL

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