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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	BAS 00429920
Molecular formula	C22H20N2O4
IUPAC name	6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione
Molecular weight	376.412
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.1
Synonyms	SR-01000311092 MLS001208158 ZINC826823 6-[(2-Hydroxy-ethyl)-methyl-amino]-2-(2-methoxy-phenyl)-benzo[de]isoquinoline-1,3-dione Oprea1_368674 AKOS000430379 CHEMBL1424527 SR-01000311092-1 MolPort-001-932-244 6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione SMR000514023 MCULE-8481651509 ST50229137 Oprea1_132373 AC1LL0ER [ Show all ]
Inchi Key	FSDVCBDDRPLDOH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H20N2O4/c1-23(12-13-25)17-11-10-16-20-14(17)6-5-7-15(20)21(26)24(22(16)27)18-8-3-4-9-19(18)28-2/h3-11,25H,12-13H2,1-2H3
PubChem CID	1101818
ChEMBL	CHEMBL1424527
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	20596.2 nM	PubChem BioAssay data set	ChEMBL

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