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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.
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GPCR

Name	Histamine H4 receptor
Species	Homo sapiens (Human)
Gene	HRH4
Synonym	Pfi-013 SP9144 HH4R H4R H4 receptor GPRv53 GPCR105 G-protein coupled receptor 105 AXOR35 [ Show all ]
Disease	Allergic rhinitis Asthma Inflammatory disease Rheumatoid arthritis
Length	390
Amino acid sequence	MPDTNSTINLSLSTRVTLAFFMSLVAFAIMLGNALVILAFVVDKNLRHRSSYFFLNLAISDFFVGVISIPLYIPHTLFEWDFGKEICVFWLTTDYLLCTASVYNIVLISYDRYLSVSNAVSYRTQHTGVLKIVTLMVAVWVLAFLVNGPMILVSESWKDEGSECEPGFFSEWYILAITSFLEFVIPVILVAYFNMNIYWSLWKRDHLSRCQSHPGLTAVSSNICGHSFRGRLSSRRSLSASTEVPASFHSERQRRKSSLMFSSRTKMNSNTIASKMGSFSQSDSVALHQREHVELLRARRLAKSLAILLGVFAVCWAPYSLFTIVLSFYSSATGPKSVWYRIAFWLQWFNSFVNPLLYPLCHKRFQKAFLKIFCIKKQPLPSQHSRSVSS
UniProt	Q9H3N8
Protein Data Bank	N/A
GPCR-HGmod model	Q9H3N8
3D structure model	This predicted structure model is from GPCR-EXP Q9H3N8.
BioLiP	N/A
Therapeutic Target Database	T26500
ChEMBL	CHEMBL3759
IUPHAR	265
DrugBank	BE0000146

Ligand

Name	JMC516547 Compound 5
Molecular formula	C15H16N6
IUPAC name	4-(2-amino-6-piperazin-1-ylpyrimidin-4-yl)benzonitrile
Molecular weight	280.335
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	1.0
Synonyms	SCHEMBL2166460 4-[2-amino-6-(piperazin-1-yl)pyrimidin-4-yl]benzonitrile CHEMBL494890 2-Aminopyrimidine analog., 25 BDBM26230
Inchi Key	GXPQVRIHPFBPOG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H16N6/c16-10-11-1-3-12(4-2-11)13-9-14(20-15(17)19-13)21-7-5-18-6-8-21/h1-4,9,18H,5-8H2,(H2,17,19,20)
PubChem CID	25130576
ChEMBL	CHEMBL494890
IUPHAR	N/A
BindingDB	26230
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	41.69 nM	PMID18817367, PMID18811133	ChEMBL
Ki	42.0 nM	PMID18817367, PMID18811133	BindingDB
pKb	8.08 -	PMID18817367, PMID18811133	ChEMBL

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