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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	2-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]aniline
Molecular formula	C13H13N3O4
IUPAC name	2-methoxy-N-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
Molecular weight	275.264
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.6
Synonyms	MLS000694671 AKOS005073998 ZINC100296206 10B-105 HMS2619E08 240799-72-8 MolPort-002-849-905 2-methoxy-N-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline jbupPBHBtACOPeGYEMEELThhdfBceijYhHH`BDh AC1NWJU8 SMR000332989 CHEMBL1587121 [ Show all ]
Inchi Key	BLZRKDPBFKODLJ-BQYQJAHWSA-N
Inchi ID	InChI=1S/C13H13N3O4/c1-9-13(16(17)18)12(20-15-9)7-8-14-10-5-3-4-6-11(10)19-2/h3-8,14H,1-2H3/b8-7+
PubChem CID	5706892
ChEMBL	CHEMBL1587121
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	8199.5 nM	PubChem BioAssay data set	ChEMBL

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