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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	MLS000714665
Molecular formula	C17H19NO4S2
IUPAC name	(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular weight	365.462
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.4
Synonyms	AC1NXS8C SMR000274644 (5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one HMS2699B15 BAS 00634568 SR-01000317233 (5E)-5-(3-ethoxy-4-hydroxy-benzylidene)-3-(tetrahydrofurfuryl)-2-thioxo-thiazolidin-4-one CHEMBL1304807 (5E)-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one BDBM72494 SR-01000317233-1 (5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(2-oxolanylmethyl)-2-sulfanylidene-4-thiazolidinone cid_5758848 [ Show all ]
Inchi Key	CBGQEKXIRAJAAT-OQLLNIDSSA-N
Inchi ID	InChI=1S/C17H19NO4S2/c1-2-21-14-8-11(5-6-13(14)19)9-15-16(20)18(17(23)24-15)10-12-4-3-7-22-12/h5-6,8-9,12,19H,2-4,7,10H2,1H3/b15-9+
PubChem CID	5758848
ChEMBL	CHEMBL1304807
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	25.9 nM	PubChem BioAssay data set	ChEMBL
Potency	16360.1 nM	PubChem BioAssay data set	ChEMBL

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