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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	N-(2-chlorobenzyl)-N'-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thiourea
Molecular formula	C21H20ClN3S
IUPAC name	1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea
Molecular weight	381.922
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.6
Synonyms	ZINC3662249 HMS2720L22 MolPort-007-585-342 1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea SR-01000547719 MCULE-5051311391 AC1N4DO3 SR-01000547719-1 CHEMBL1509954 MLS000729620 SMR000307897 AKOS001775002 [ Show all ]
Inchi Key	HNYLELVFGLFRPB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20ClN3S/c1-16-7-2-5-11-20(16)24-21(26)25(14-17-8-6-12-23-13-17)15-18-9-3-4-10-19(18)22/h2-13H,14-15H2,1H3,(H,24,26)
PubChem CID	4153842
ChEMBL	CHEMBL1509954
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	290.9 nM	PubChem BioAssay data set	ChEMBL

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