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GLASS

You can:

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	Mus musculus (Mouse)
Gene	Trhr
Synonym	Thyroliberin receptor TRH receptor TRH-R TRH-R1 TRH1 receptor
Disease	N/A for non-human GPCRs
Length	393
Amino acid sequence	MENDTVSEMNQTELQPQAAVALEYQVVTILLVVIICGLGIVGNIMVVLVVMRTKHMRTPTNCYLVSLAVADLMVLVAAGLPNITDSIYGSWVYGYVGCLCITYLQYLGINASSCSITAFTIERYIAICHPIKAQFLCTFSRAKKIIIFVWAFTSIYCMLWFFLLDLNISTYKNAVVVSCGYKISRNYYSPIYLMDFGVFYVVPMILATVLYGFIARILFLNPIPSDPKENSKMWKNDSIHQNKNLNLNATNRCFNSTVSSRKQVTKMLAVVVILFALLWMPYRTLVVVNSFLSSPFQENWFLLFCRICIYLNSAINPVIYNLMSQKFRAAFRKLCNCKQKPTEKAANYSVALNYSVIKESDRFSTELEDITVTDTYVSTTKVSFDDTCLASEN
UniProt	P21761
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2467
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL179861
Molecular formula	C20H19ClN2O
IUPAC name	N-butan-2-yl-1-(2-chlorophenyl)isoquinoline-3-carboxamide
Molecular weight	338.835
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	5.3
Synonyms	1-(2-CHLOROPHENYL)-N-(1-METHYLPROPYL)-ISOQUINOLINE-3-CARBOXAMIDE 157809-85-3 N-sec-Butyl-1-(2-chlorophenyl)isoquinoline-3-carboxamide 1-(2-chlorophenyl)-N-(1-methylpropyl)-3-isoquinoline carboxamide AKOS030541665 1-[2-chlorophenyl]-N-[1-methyl-propyl]-3-isoquinoline carboxamide 3-Isoquinolinecarboxamide, 1-(2-chlorophenyl)-N-(1-methylpropyl)- SCHEMBL1170339 1-(2-chlorophenyl)-n-(1-methylpropyl)-3-isoquinolinecarboxamide BDBM50180870 124236-61-9 CTK0C2644 ACMC-1C1J3 XXSIYNJKCPZOFQ-UHFFFAOYSA-N [ Show all ]
Inchi Key	XXSIYNJKCPZOFQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19ClN2O/c1-3-13(2)22-20(24)18-12-14-8-4-5-9-15(14)19(23-18)16-10-6-7-11-17(16)21/h4-13H,3H2,1-2H3,(H,22,24)
PubChem CID	11500992
ChEMBL	CHEMBL179861
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Competition	49.0 %	PMID15664847	ChEMBL
Competition	85.0 %	PMID15664847	ChEMBL

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