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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	Histamine H4 receptor
Species	Rattus norvegicus (Rat)
Gene	Hrh4
Synonym	GPCR105 H4 receptor H4R HH4R
Disease	N/A for non-human GPCRs
Length	391
Amino acid sequence	MSESNGTDVLPLTAQVPLAFLMSLLAFAITIGNAVVILAFVADRNLRHRSNYFFLNLAISDFFVGVISIPLYIPHTLFNWNFGSGICMFWLITDYLLCTASVYSIVLISYDRYQSVSNAVRYRAQHTGILKIVAQMVAVWILAFLVNGPMILASDSWKNSTNTEECEPGFVTEWYILAITAFLEFLLPVSLVVYFSVQIYWSLWKRGSLSRCPSHAGFIATSSRGTGHSRRTGLACRTSLPGLKEPAASLHSESPRGKSSLLVSLRTHMSGSIIAFKVGSFCRSESPVLHQREHVELLRGRKLARSLAVLLSAFAICWAPYCLFTIVLSTYRRGERPKSIWYSIAFWLQWFNSLINPFLYPLCHRRFQKAFWKILCVTKQPAPSQTQSVSS
UniProt	Q91ZY1
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	CHEMBL4468
IUPHAR	265
DrugBank	N/A

Ligand

Name	A-846714
Molecular formula	C16H18N6
IUPAC name	4-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile
Molecular weight	294.362
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	1.5
Synonyms	D08DOG 4-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile 2-Aminopyrimidine analog., 4 JMC516547 Compound 2 CHEMBL494678 SCHEMBL2166660 BDBM26229 [ Show all ]
Inchi Key	QFKQUMBUFVKQBH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-4-2-12(11-17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)
PubChem CID	25130235
ChEMBL	CHEMBL494678
IUPHAR	N/A
BindingDB	26229
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	58.88 nM	PMID18817367, PMID18811133	ChEMBL
EC50	4677.35 nM	PMID18811133	ChEMBL
Efficacy	64.0 %	PMID18817367, PMID18811133	ChEMBL
Ki	275.0 nM	PMID18817367, PMID18811133	BindingDB
Ki	275.42 nM	PMID18817367, PMID18811133	ChEMBL
pKb	6.21 -	PMID18811133	ChEMBL

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