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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	3-hydroxy-4-((E)-{[(5-methoxy-1-methyl-1H-indol-2-yl)carbonyl]hydrazono}methyl)-2-naphthoic acid
Molecular formula	C23H19N3O5
IUPAC name	3-hydroxy-4-[(E)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid
Molecular weight	417.421
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.2
Synonyms	AC1OBBZE SR-01000103304-1 CHEMBL3195304 SMR000564815 AKOS002123818 MLS001202322 4-[[2-(5-methoxy-1-methylindole-2-carbonyl)hydrazinyl]methylidene]-3-oxonaphthalene-2-carboxylic acid SR-01000103304 MolPort-007-945-927 [ Show all ]
Inchi Key	GBLPGGPIXKBWGV-WYMPLXKRSA-N
Inchi ID	InChI=1S/C23H19N3O5/c1-26-19-8-7-15(31-2)9-14(19)11-20(26)22(28)25-24-12-18-16-6-4-3-5-13(16)10-17(21(18)27)23(29)30/h3-12,27H,1-2H3,(H,25,28)(H,29,30)/b24-12+
PubChem CID	135616999
ChEMBL	CHEMBL3195304
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
Potency	20596.2 nM	PubChem BioAssay data set	ChEMBL

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