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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	2-methylpropyl 6-(6-bromo(2H-benzo[d]1,3-dioxolan-5-yl))-3,4-dimethyl-2-oxo-1, 3,6-trihydropyrimidine-5-carboxylate
Molecular formula	C18H21BrN2O5
IUPAC name	2-methylpropyl 6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Molecular weight	425.279
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.0
Synonyms	2-methylpropyl 6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate ChemDiv1_001359 MolPort-000-904-260 STK363311 AKOS000654997 HMS590N17 Oprea1_576432 2-methylpropyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate MLS000108134 SR-01000411178-1 AC1MF2JK HMS2168F24 NCGC00079570-02 AKOS022064410 isobutyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate SMR000104096 CHEMBL1337167 MLS002539987 ST014862 AG-690/11821792 HMS3312B10 Oprea1_286366 BAS 00714452 MCULE-9869833411 SR-01000411178 [ Show all ]
Inchi Key	JDZXOFUYCFMXGR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21BrN2O5/c1-9(2)7-24-17(22)15-10(3)21(4)18(23)20-16(15)11-5-13-14(6-12(11)19)26-8-25-13/h5-6,9,16H,7-8H2,1-4H3,(H,20,23)
PubChem CID	2864940
ChEMBL	CHEMBL1337167
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	32642.7 nM	PubChem BioAssay data set	ChEMBL

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