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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	SMR000078971
Molecular formula	C21H26N2O5S2
IUPAC name	N-(2-ethoxyphenyl)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
Molecular weight	450.568
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.6
Synonyms	AKOS000381648 MLS000051091 CHEMBL1589419 N-(2-ethoxyphenyl)-4-(methylthio)-N-[2-(4-morpholinyl)-2-oxoethyl]benzenesulfonamide MCULE-1553753976 N-(2-ethoxyphenyl)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide BDBM89726 MolPort-001-007-290 STL119145 cid_2964580 N-(2-ethoxyphenyl)-4-(methylthio)-N-[2-(4-morpholinyl)-2-oxoethyl]benzenesulfonamide (non-preferred name) MLS-0045648.0001 N-(2-keto-2-morpholino-ethyl)-4-(methylthio)-N-o-phenetyl-benzenesulfonamide AC1MGPCD N-(2-ethoxyphenyl)-4-(methylsulfanyl)-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide ZINC4196185 HMS2190J12 N-(2-ethoxyphenyl)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-oxidanylidene-ethyl)benzenesulfonamide [ Show all ]
Inchi Key	KOGDCWJXKPVPPR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26N2O5S2/c1-3-28-20-7-5-4-6-19(20)23(16-21(24)22-12-14-27-15-13-22)30(25,26)18-10-8-17(29-2)9-11-18/h4-11H,3,12-16H2,1-2H3
PubChem CID	2964580
ChEMBL	CHEMBL1589419
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	2059.6 nM	PubChem BioAssay data set	ChEMBL

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