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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	MLS000028153
Molecular formula	C15H19N3
IUPAC name	2-[2-[2-(dimethylamino)ethyl]-5-methyl-1H-indol-3-yl]acetonitrile
Molecular weight	241.338
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.4
Synonyms	79882-37-4 HMS2459C18 SMR000036802 AKOS005615404 MolPort-002-541-282 TimTec1_002851 2-[2-(2-dimethylaminoethyl)-5-methyl-1H-indol-3-yl]acetonitrile CHEMBL1471610 Oprea1_587758 A2054/0086377 MCULE-7188748266 ST041658 BRD-K27129967-001-01-0 NCGC00018863-01 ZINC28969 2-{2-[2-(dimethylamino)ethyl]-5-methylindol-3-yl}ethanenitrile HMS1542B13 Oprea1_807147 AC1LCXH9 STK760711 NCGC00018863-02 {2-[2-(dimethylamino)ethyl]-5-methyl-1H-indol-3-yl}acetonitrile [ Show all ]
Inchi Key	AZBZDVGXVXNMCB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H19N3/c1-11-4-5-14-13(10-11)12(6-8-16)15(17-14)7-9-18(2)3/h4-5,10,17H,6-7,9H2,1-3H3
PubChem CID	657861
ChEMBL	CHEMBL1471610
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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