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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	MLS000862743
Molecular formula	C22H35NO5S
IUPAC name	ethyl 4-(cyclopropylmethyl)-1-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]piperidine-4-carboxylate
Molecular weight	425.584
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.9
Synonyms	SR-01000167823-1 ethyl 4-(cyclopropylmethyl)-1-({[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methyl}sulfonyl)piperidine-4-carboxylate SMR000319709 HMS2685H21 SR-01000167823 CHEMBL1465723 [ Show all ]
Inchi Key	FWQDBPMNMGTDJR-VGOFRKELSA-N
Inchi ID	InChI=1S/C22H35NO5S/c1-4-28-19(25)21(14-16-5-6-16)9-11-23(12-10-21)29(26,27)15-22-8-7-17(13-18(22)24)20(22,2)3/h16-17H,4-15H2,1-3H3/t17-,22-/m1/s1
PubChem CID	25086305
ChEMBL	CHEMBL1465723
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	20596.2 nM	PubChem BioAssay data set	ChEMBL

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