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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	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	VUF10460
Molecular formula	C15H19N5
IUPAC name	4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
Molecular weight	269.352
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.8
Synonyms	BCP28979 VUF 10460 4-(4-Methyl-1-piperazinyl)-6-phenyl-2-Pyrimidinamine CHEMBL492884 AK688823 MolPort-008-426-086 1028327-66-3 BDBM26390 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine CS-6422 AKOS022268844 SCHEMBL2167865 ZINC36139575 6-aryl-2-aminopyrimidine, 3 HY-101420 [ Show all ]
Inchi Key	NIJGWJIOMPHDBP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
PubChem CID	25129523
ChEMBL	CHEMBL492884
IUPHAR	N/A
BindingDB	26390
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	5.0 nM	PMID18817367	BindingDB
Ki	5.012 nM	MedChemComm, (2013) 4:1:193, PMID18817367	ChEMBL
Ki	6.31 nM	PMID21782429	BindingDB,ChEMBL
Ki	7.943 nM	PMID23668417	ChEMBL
pKb	8.39 -	PMID18817367, PMID18811133	ChEMBL

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