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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	CHEMBL3236564
Molecular formula	C16H25N5
IUPAC name	4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine
Molecular weight	287.411
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.0
Synonyms	BDBM50006753 SCHEMBL605065
Inchi Key	BJCCJZOEFDQQHO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H25N5/c17-15-19-13(12-4-1-2-5-12)10-14(20-15)21-9-7-16(11-21)6-3-8-18-16/h10,12,18H,1-9,11H2,(H2,17,19,20)
PubChem CID	24996854
ChEMBL	CHEMBL3236564
IUPHAR	N/A
BindingDB	50006753
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	<10000.0 nM	PMID24495018	BindingDB,ChEMBL
Kd	2.512 nM	PMID24495018	ChEMBL
Ki	11.0 nM	PMID24495018	BindingDB
Ki	11.2 nM	PMID24495018	ChEMBL

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