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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.
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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	MLS001207297
Molecular formula	C17H12N2O4S2
IUPAC name	N-[(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Molecular weight	372.413
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	3.4
Synonyms	N-[(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzamide N-[5-(3,4-dihydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide N-[(5Z)-5-(3,4-dihydroxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzamide ST50148414 BAS 00872119 N-[(5Z)-5-[[3,4-bis(oxidanyl)phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide CHEMBL1417168 MolPort-000-501-177 N-{5-[(3,4-dihydroxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}ben zamide AC1LWDUT N-[(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide ZINC969850 BDBM76201 N-[5-(3,4-Dihydroxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-benzamide cid_1725045 MolPort-019-774-426 SMR000515623 AKOS000522548 [ Show all ]
Inchi Key	GMRPUDKLBOTNPQ-ZROIWOOFSA-N
Inchi ID	InChI=1S/C17H12N2O4S2/c20-12-7-6-10(8-13(12)21)9-14-16(23)19(17(24)25-14)18-15(22)11-4-2-1-3-5-11/h1-9,20-21H,(H,18,22)/b14-9-
PubChem CID	1725045
ChEMBL	CHEMBL1417168
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	1032.3 nM	PubChem BioAssay data set	ChEMBL
Potency	18356.4 nM	PubChem BioAssay data set	ChEMBL

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