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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	(2-{[2-(4-Fluorophenyl)-1H-indol-3-yl]thio}ethyl)amine
Molecular formula	C16H15FN2S
IUPAC name	2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethanamine
Molecular weight	286.368
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.4
Synonyms	3-[(2-aminoethyl)sulfanyl]-2-(4-fluorophenyl)-1H-indole L-3744 AKOS015957225 MolPort-003-065-930 F1386-0288 SR-01000012392-1 865546-48-1 MCULE-7499394313 SMR000320198 2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethanamine HMS2766A19 ZINC2455189 AC1M1GS2 MLS000419454 CHEMBL1510943 SR-01000012392 [ Show all ]
Inchi Key	DDOGPCPXKQEPLW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H15FN2S/c17-12-7-5-11(6-8-12)15-16(20-10-9-18)13-3-1-2-4-14(13)19-15/h1-8,19H,9-10,18H2
PubChem CID	2049524
ChEMBL	CHEMBL1510943
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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