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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	MLS002162744
Molecular formula	C21H24N4O2
IUPAC name	6-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
Molecular weight	364.449
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.9
Synonyms	AKOS034427855 Z52022640 HMS3040D24 6-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide MolPort-004-157-990 ZINC8226309 MCULE-1054565951 878443-23-3 SMR001245144 CHEMBL1316330 [ Show all ]
Inchi Key	KKSWMHOVTCOBIY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24N4O2/c1-13(2)25-20-18(12-23-25)17(10-19(24-20)15-6-7-15)21(26)22-11-14-4-8-16(27-3)9-5-14/h4-5,8-10,12-13,15H,6-7,11H2,1-3H3,(H,22,26)
PubChem CID	9357701
ChEMBL	CHEMBL1316330
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	29092.9 nM	PubChem BioAssay data set	ChEMBL

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