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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	MLS000418558
Molecular formula	C28H35N5O3
IUPAC name	N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
Molecular weight	489.62
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.4
Synonyms	N-[(E)-[(3E)-3-[4-(diethylamino)benzylidene]-2-morpholino-cyclopenten-1-yl]methyleneamino]-6-keto-1-methyl-nicotinamide N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide AKOS001014094 N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-(4-morpholinyl)-1-cyclopentenyl]methylideneamino]-1-methyl-6-oxo-3-pyridinecarboxamide CHEMBL1981990 SMR000265007 MLS002637254 BDBM90191 N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-cyclopenten-1-yl]methylideneamino]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide cid_9662775 [ Show all ]
Inchi Key	KMLXHMAYCCRLRY-UKCKPQGZSA-N
Inchi ID	InChI=1S/C28H35N5O3/c1-4-32(5-2)25-11-6-21(7-12-25)18-22-8-9-23(27(22)33-14-16-36-17-15-33)19-29-30-28(35)24-10-13-26(34)31(3)20-24/h6-7,10-13,18-20H,4-5,8-9,14-17H2,1-3H3,(H,30,35)/b22-18+,29-19+
PubChem CID	9662775
ChEMBL	CHEMBL1981990
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	10322.5 nM	PubChem BioAssay data set	ChEMBL

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