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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	MLS000779074
Molecular formula	C20H19NO3
IUPAC name	(2Z)-7-[(dimethylamino)methyl]-6-hydroxy-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one
Molecular weight	321.376
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.7
Synonyms	CHEBI:121948 SMR000415754 (2Z)-7-[(dimethylamino)methyl]-6-oxidanyl-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one 7-Dimethylaminomethyl-6-hydroxy-2-[(E)-3-phenyl-prop-2-en-(Z)-ylidene]-benzofuran-3-one cid_1940326 ZINC13540174 (2Z)-7-(dimethylaminomethyl)-6-hydroxy-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one AKOS002217857 (2Z)-7-[(dimethylamino)methyl]-6-hydroxy-2-[(E)-3-phenylprop-2-enylidene]-3-benzofuranone (Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-phenylallylidene)benzofuran-3(2H)-one ST50474565 899411-94-0 F3385-2199 (2Z)-7-[(dimethylamino)methyl]-6-hydroxy-2-[(2E)-3-phenylprop-2-en-1-ylidene]-1-benzofuran-3(2H)-one BDBM69402 MolPort-002-643-354 (2Z)-7-[(dimethylamino)methyl]-6-hydroxy-2-[(E)-3-phenylprop-2-enylidene]coumaran-3-one 2-((2E)-3-phenylprop-2-enylidene)-7-[(dimethylamino)methyl]-6-hydroxybenzo[b]f uran-3-one CHEMBL1509042 STL033309 AC1LZ326 HMS2748N20 (2Z)-7-[(dimethylamino)methyl]-6-hydroxy-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one [ Show all ]
Inchi Key	AJSXKTMPEQNQES-CVCOPPNTSA-N
Inchi ID	InChI=1S/C20H19NO3/c1-21(2)13-16-17(22)12-11-15-19(23)18(24-20(15)16)10-6-9-14-7-4-3-5-8-14/h3-12,22H,13H2,1-2H3/b9-6+,18-10-
PubChem CID	1940326
ChEMBL	CHEMBL1509042
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	18356.4 nM	PubChem BioAssay data set	ChEMBL

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