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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	MLS000521066
Molecular formula	C20H21N3O2
IUPAC name	3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
Molecular weight	335.407
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.9
Synonyms	CHEMBL1538513 SR-01000144916 HMS2442D18 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea BRD-K34668472-001-01-6 ChemDiv3_013521 SR-01000144916-1 IDI1_029671 AC1MOYXX SMR000131475 HMS1511G13 MCULE-2877231602 AKOS002120812 [ Show all ]
Inchi Key	JDBIFIJDQAXIKP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21N3O2/c1-2-16-7-9-18(10-8-16)22-20(24)23(15-19-6-4-12-25-19)14-17-5-3-11-21-13-17/h3-13H,2,14-15H2,1H3,(H,22,24)
PubChem CID	3376947
ChEMBL	CHEMBL1538513
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	16360.1 nM	PubChem BioAssay data set	ChEMBL
Potency	29092.9 nM	PubChem BioAssay data set	ChEMBL

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