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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	MLS000775763
Molecular formula	C21H16F2N2O5S
IUPAC name	N-[4-(difluoromethylsulfanyl)phenyl]-5-(2-hydroxy-5-methoxybenzoyl)-2-iminopyran-3-carboxamide
Molecular weight	446.425
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	4.6
Synonyms	CHEMBL1453924 N-[4-(difluoromethylthio)phenyl]-5-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-2-imino-3-pyrancarboxamide AC1M6YJZ MCULE-6963572888 SR-01000043980 CHEBI:112676 N-[4-(difluoromethylsulfanyl)phenyl]-5-(2-hydroxy-5-methoxybenzoyl)-2-iminopyran-3-carboxamide ZINC9579682 2-azanylidene-N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-5-(5-methoxy-2-oxidanyl-phenyl)carbonyl-pyran-3-carboxamide cid_2432552 N-{4-[(difluoromethyl)sulfanyl]phenyl}-5-(2-hydroxy-5-methoxybenzoyl)-2-imino-2H-pyran-3-carboxamide AKOS034348161 SR-01000043980-1 N-[4-(difluoromethylthio)phenyl]-5-(2-hydroxy-5-methoxy-benzoyl)-2-imino-pyran-3-carboxamide 565179-41-1 HMS2706P14 SMR000369329 BDBM57969 MolPort-004-262-291 Z44426736 [ Show all ]
Inchi Key	JOLCWSYBUSOJKF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H16F2N2O5S/c1-29-13-4-7-17(26)15(9-13)18(27)11-8-16(19(24)30-10-11)20(28)25-12-2-5-14(6-3-12)31-21(22)23/h2-10,21,24,26H,1H3,(H,25,28)
PubChem CID	2432552
ChEMBL	CHEMBL1453924
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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