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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	MLS001018872
Molecular formula	C21H23N3O2
IUPAC name	N-(benzylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
Molecular weight	349.434
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.1
Synonyms	763098-81-3 MCULE-2121479889 BDBM63708 N-(benzylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide 1-benzyl-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)acetyl]urea cid_2088165 Z46282314 AC1M13H7 N-[oxo-[(phenylmethyl)amino]methyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-[(phenylmethyl)carbamoyl]ethanamide HMS2733M05 ZINC58158761 AKOS034387191 MolPort-004-049-160 CHEMBL1447664 SMR000385388 [ Show all ]
Inchi Key	CJUYJMAMNXOQKN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23N3O2/c25-20(23-21(26)22-15-17-7-3-1-4-8-17)16-24-13-11-19(12-14-24)18-9-5-2-6-10-18/h1-11H,12-16H2,(H2,22,23,25,26)
PubChem CID	2088165
ChEMBL	CHEMBL1447664
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	13.0 nM	PubChem BioAssay data set	ChEMBL

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