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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	AC1LTR2R
Molecular formula	C19H16N2O6S2
IUPAC name	4-hydroxy-N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methoxybenzamide
Molecular weight	432.465
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	3.4
Synonyms	4-hydroxy-N-[5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-methoxybenzamide SR-01000218993-1 3-methoxy-N-[(5Z)-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-oxidanyl-benzamide AB00095755-01 DTXSID20364439 4-hydroxy-N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methoxybenzamide BDBM48102 SMR000540319 (4-hydroxy-3-methoxyphenyl)-N-{5-[(4-hydroxy-3-methoxyphenyl)methylene]-4-oxo- 2-thioxo(1,3-thiazolidin-3-yl)}carboxamide CHEMBL1606916 ST50055240 301227-50-9 MLS001164981 4-hydroxy-N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-methoxybenzamide BIM-0032641.P001 SR-01000218993 (Z)-4-hydroxy-N-(5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methoxybenzamide 5751-03-1 cid_1567094 ZINC12569841 4-hydroxy-N-[(5Z)-4-keto-2-thioxo-5-vanillylidene-thiazolidin-3-yl]-3-methoxy-benzamide AKOS001020828 MolPort-000-436-921 [ Show all ]
Inchi Key	HBMGNBUJVFZDIY-PXNMLYILSA-N
Inchi ID	InChI=1S/C19H16N2O6S2/c1-26-14-7-10(3-5-12(14)22)8-16-18(25)21(19(28)29-16)20-17(24)11-4-6-13(23)15(9-11)27-2/h3-9,22-23H,1-2H3,(H,20,24)/b16-8-
PubChem CID	1567094
ChEMBL	CHEMBL1606916
IUPHAR	N/A
BindingDB	48102
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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