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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	1-tert-butyl-3-methyl-4-[(2-nitrophenyl)thio]-1H-pyrazol-5-yl acetate
Molecular formula	C16H19N3O4S
IUPAC name	[2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanylpyrazol-3-yl] acetate
Molecular weight	349.405
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.5
Synonyms	SMR000308112 1-(tert-butyl)-3-methyl-4-((2-nitrophenyl)thio)-1H-pyrazol-5-yl acetate F0569-0568 ZINC212756 AC1LFN7A MLS000729835 CHEMBL1412994 SR-01000092605 HMS2721D18 [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanylpyrazol-3-yl] acetate AKOS001753926 MolPort-003-027-556 EU-0088229 SR-01000092605-1 851127-35-0 MCULE-2897365830 [ Show all ]
Inchi Key	GAFJIGVVQLCBPY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H19N3O4S/c1-10-14(24-13-9-7-6-8-12(13)19(21)22)15(23-11(2)20)18(17-10)16(3,4)5/h6-9H,1-5H3
PubChem CID	756445
ChEMBL	CHEMBL1412994
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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