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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	2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Molecular formula	C23H16ClN3O5
IUPAC name	2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxoisoquinoline-4-carboxamide
Molecular weight	449.847
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.1
Synonyms	AC1ND3J2 Oprea1_839453 CHEMBL1466399 SR-01000147288-1 MLS000584898 AKOS002130623 SMR000207283 HMS2547G24 ZINC2937992 2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxoisoquinoline-4-carboxamide MolPort-007-952-399 SR-01000147288 MCULE-6772135679 [ Show all ]
Inchi Key	AXYJVOCPPVHMDU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H16ClN3O5/c1-32-21-11-10-16(27(30)31)12-20(21)25-22(28)19-13-26(15-8-6-14(24)7-9-15)23(29)18-5-3-2-4-17(18)19/h2-13H,1H3,(H,25,28)
PubChem CID	4569017
ChEMBL	CHEMBL1466399
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	6513.1 nM	PubChem BioAssay data set	ChEMBL

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