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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	AC1NSAWC
Molecular formula	C18H15N3O3
IUPAC name	6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide
Molecular weight	321.336
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	1.8
Synonyms	6-(hydroxymethyl)-N'-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]pyridine-3-carbohydrazide SMR000495880 6-(hydroxymethyl)-N'-[(2-hydroxy-1-naphthyl)methylene]nicotinohydrazide MolPort-002-111-960 CHEMBL3192078 6-(hydroxymethyl)-N'-[(2-oxonaphthalen-1-ylidene)methyl]pyridine-3-carbohydrazide SCHEMBL12218196 AC1OA0DY MLS001008587 [ Show all ]
Inchi Key	HQJNJFVJKALQGS-KEBDBYFISA-N
Inchi ID	InChI=1S/C18H15N3O3/c22-11-14-7-5-13(9-19-14)18(24)21-20-10-16-15-4-2-1-3-12(15)6-8-17(16)23/h1-10,22-23H,11H2,(H,21,24)/b20-10+
PubChem CID	135403085
ChEMBL	CHEMBL3192078
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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