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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	MLS000677316
Molecular formula	C17H11N3O5
IUPAC name	3-nitro-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide
Molecular weight	337.291
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.5
Synonyms	3-nitro-N-[(4-oxidanylidenechromen-3-yl)methylideneamino]benzamide AKOS000559335 CHEMBL3189482 N-[(4-ketochromen-3-yl)methyleneamino]-3-nitro-benzamide 3-nitro-N-[(4-oxo-1-benzopyran-3-yl)methylideneamino]benzamide BDBM60151 cid_1085155 SMR000286141 3-nitro-N-[(4-oxochromen-3-yl)methylideneamino]benzamide [ Show all ]
Inchi Key	CYNDOHUWRYPYCT-GIJQJNRQSA-N
Inchi ID	InChI=1S/C17H11N3O5/c21-16-12(10-25-15-7-2-1-6-14(15)16)9-18-19-17(22)11-4-3-5-13(8-11)20(23)24/h1-10H,(H,19,22)/b18-9+
PubChem CID	9617885
ChEMBL	CHEMBL3189482
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	7307.8 nM	PubChem BioAssay data set	ChEMBL

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