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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	MLS001199446
Molecular formula	C17H13FO5S
IUPAC name	3-(4-fluoro-3-methylphenyl)sulfonyl-7-hydroxy-8-methylchromen-2-one
Molecular weight	348.344
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.4
Synonyms	3-(4-fluoro-3-methylphenyl)sulfonyl-7-hydroxy-8-methyl-1-benzopyran-2-one HMS1626P20 AKOS001812404 MLS-0323357.0001 3-(4-fluoranyl-3-methyl-phenyl)sulfonyl-8-methyl-7-oxidanyl-chromen-2-one CHEMBL1532646 ZINC6736739 3-(4-fluoro-3-methylphenyl)sulfonyl-7-hydroxy-8-methylchromen-2-one HMS2850P07 BDBM90881 3-(4-fluoro-3-methyl-phenyl)sulfonyl-7-hydroxy-8-methyl-coumarin cid_20864499 3-[(4-fluoro-3-methylphenyl)sulfonyl]-7-hydroxy-8-methyl-2H-chromen-2-one MCULE-8650898615 SMR000562864 [ Show all ]
Inchi Key	HLGILKFCTLIAPA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H13FO5S/c1-9-7-12(4-5-13(9)18)24(21,22)15-8-11-3-6-14(19)10(2)16(11)23-17(15)20/h3-8,19H,1-2H3
PubChem CID	20864499
ChEMBL	CHEMBL1532646
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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