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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	SMR000172341
Molecular formula	C19H13F3N2O4S
IUPAC name	11-(2,4-dimethoxyphenyl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
Molecular weight	422.378
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.5
Synonyms	625376-72-9 BDBM50980 MolPort-000-766-779 7-(2,4-dimethoxyphenyl)-4-hydroxy-9-(trifluoromethyl)thieno[2,3-b:4,5-b']dipyridin-2(1H)-one CHEMBL1479883 ST039542 AKOS005710685 MCULE-7013940261 7-(2,4-Dimethoxy-phenyl)-2-hydroxy-9-trifluoromethyl-1H-thieno[2,3-b;4,5-b']dipyridin-4-one C19H13F3N2O4S MolPort-002-007-264 AC1LLLN3 cid_1086490 STL057753 BAS 06901306 MLS000548645 7-(2,4-dimethoxyphenyl)-2-hydroxy-9-(trifluoromethyl)hydropyridino[2',3'-4,5]t hiopheno[2,3-b]pyridin-4-one AKOS000666138 HMS2557G22 ZINC18181671 [ Show all ]
Inchi Key	HPEICIGLBWLNLO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H13F3N2O4S/c1-27-8-3-4-9(13(5-8)28-2)11-6-10(19(20,21)22)15-16-17(29-18(15)23-11)12(25)7-14(26)24-16/h3-7H,1-2H3,(H2,24,25,26)
PubChem CID	54684582
ChEMBL	CHEMBL1479883
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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