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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	SCHEMBL603807
Molecular formula	C22H29FN6
IUPAC name	5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
Molecular weight	396.514
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.1
Synonyms	[5-(5-Fluoro-4-methyl-1H-benzoimidazol-2-yl)-4-methyl-pyrimidin-2-yl]-[3-(1-methyl-piperidin-4-yl)-propyl]-amine 5-(5-Fluoro-4-methyl-1H-benzoimidazol-2-yl)-4-methyl-pyrimidin-2-yl[-3-(1-methyl-piperidin-4-yl)-propyl]-amine CHEMBL3943309 AUWBEHSRDMALLO-UHFFFAOYSA-N
Inchi Key	AUWBEHSRDMALLO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H29FN6/c1-14-18(23)6-7-19-20(14)28-21(27-19)17-13-25-22(26-15(17)2)24-10-4-5-16-8-11-29(3)12-9-16/h6-7,13,16H,4-5,8-12H2,1-3H3,(H,27,28)(H,24,25,26)
PubChem CID	23650960
ChEMBL	CHEMBL3943309
IUPHAR	N/A
BindingDB	N/A
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	21.0 nM	None	ChEMBL

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