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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	(2E,5E)-2,5-bis(2,4-dimethoxybenzylidene)cyclopentanone
Molecular formula	C23H24O5
IUPAC name	(2E,5E)-2,5-bis[(2,4-dimethoxyphenyl)methylidene]cyclopentan-1-one
Molecular weight	380.44
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.4
Synonyms	2,5-Bis(2,4-dimethoxybenzylidene)cyclopentanone MolPort-003-944-033 J3.658.773C AC1O02DS SMR000308207 CHEMBL1089894 (2E,5E)-2,5-bis[(2,4-dimethoxyphenyl)methylidene]cyclopentan-1-one MLS000729930 AKOS001769528 ZINC4547080 HMS2763I13 [ Show all ]
Inchi Key	BNOUVZFACHIVHD-JYFOCSDGSA-N
Inchi ID	InChI=1S/C23H24O5/c1-25-19-9-7-15(21(13-19)27-3)11-17-5-6-18(23(17)24)12-16-8-10-20(26-2)14-22(16)28-4/h7-14H,5-6H2,1-4H3/b17-11+,18-12+
PubChem CID	6001289
ChEMBL	CHEMBL1089894
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	23109.3 nM	PubChem BioAssay data set	ChEMBL

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