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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	TCMDC-123502
Molecular formula	C18H21Cl2NO
IUPAC name	2-(butan-2-ylamino)-1,1-bis(4-chlorophenyl)ethanol
Molecular weight	338.272
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	4.7
Synonyms	KS-000032D0 321432-92-2 MMV665928 HMS2637G14 2-(sec-butylamino)-1,1-bis(4-chlorophenyl)-1-ethanol MCULE-8508219484 AC1MX0V2 CHEMBL529640 Oprea1_408206 1J-343S HMS3359O18 2-[(butan-2-yl)amino]-1,1-bis(4-chlorophenyl)ethan-1-ol MLS000692185 AKOS005082621 GNF-Pf-4606 SMR000333848 2-(butan-2-ylamino)-1,1-bis(4-chlorophenyl)ethanol [ Show all ]
Inchi Key	BQRBPWDQFAYRAI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21Cl2NO/c1-3-13(2)21-12-18(22,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,13,21-22H,3,12H2,1-2H3
PubChem CID	3808173
ChEMBL	CHEMBL529640
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	23109.3 nM	PubChem BioAssay data set	ChEMBL

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