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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	MLS001100829
Molecular formula	C25H26FN3O3
IUPAC name	1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidine-4-carboxamide
Molecular weight	435.499
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.0
Synonyms	1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidine-4-carboxamide HMS2990L09 SMR000669993 1-(3-fluoro-4-methoxy-benzyl)-N-(6-phenoxy-3-pyridyl)isonipecotamide CHEMBL1583610 1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)-4-piperidinecarboxamide MCULE-8463648328 BDBM97152 SR-01000828872 1-(3-fluoro-4-methoxybenzyl)-N-(6-phenoxy-3-pyridinyl)-4-piperidinecarboxamide cid_24819426 1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidine-4-carboxamide SR-01000828872-2 [ Show all ]
Inchi Key	GMHPZRMQPJRBMJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H26FN3O3/c1-31-23-9-7-18(15-22(23)26)17-29-13-11-19(12-14-29)25(30)28-20-8-10-24(27-16-20)32-21-5-3-2-4-6-21/h2-10,15-16,19H,11-14,17H2,1H3,(H,28,30)
PubChem CID	24819426
ChEMBL	CHEMBL1583610
IUPHAR	N/A
BindingDB	97152
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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