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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	MLS000579119
Molecular formula	C18H15ClN2O4
IUPAC name	methyl 1-(4-chlorobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate
Molecular weight	358.778
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.1
Synonyms	BIM-0048352.P001 methyl 1-(4-chlorobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate REGID_for_CID_2858902 MCULE-7912811327 SR-01000216121-1 CBMicro_048377 CHEMBL1366656 SMR000186708 AC1MEP6S methyl 1-(4-chlorobenzoyl)-5-hydroxy-5-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate CHEBI:107093 MolPort-002-161-216 HMS2499B20 SR-01000216121 [ Show all ]
Inchi Key	CNQJGOUWPQEPPO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H15ClN2O4/c1-25-17(23)15-11-18(24,13-5-3-2-4-6-13)21(20-15)16(22)12-7-9-14(19)10-8-12/h2-10,24H,11H2,1H3
PubChem CID	2858902
ChEMBL	CHEMBL1366656
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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