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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	AC1O5PEJ
Molecular formula	C22H25ClN2O3
IUPAC name	(4-benzylpiperazin-1-yl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
Molecular weight	400.903
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	None
Synonyms	CHEMBL1547687 SMR000498874 MLS000999785 (4-benzylpiperazin-1-yl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone hydrochloride MolPort-002-128-371 1-benzyl-4-[(6-methoxy-3-methyl-1-benzofuran-2-yl)carbonyl]piperazine hydrochloride [ Show all ]
Inchi Key	HWGJRUVMANGETB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N2O3.ClH/c1-16-19-9-8-18(26-2)14-20(19)27-21(16)22(25)24-12-10-23(11-13-24)15-17-6-4-3-5-7-17;/h3-9,14H,10-13,15H2,1-2H3;1H
PubChem CID	6461581
ChEMBL	CHEMBL1547687
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Potency	6513.1 nM	PubChem BioAssay data set	ChEMBL

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