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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	CHEMBL494093
Molecular formula	C17H21N5
IUPAC name	4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
Molecular weight	295.39
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.1
Synonyms	6-(4-methylpiperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine 2,4-diamino-5,6-disubstituted pyrimidine, 6 BDBM26392 SCHEMBL4877466
Inchi Key	CEUMRIVIGREJGB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H21N5/c1-21-8-10-22(11-9-21)16-14-7-6-12-4-2-3-5-13(12)15(14)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20)
PubChem CID	25128822
ChEMBL	CHEMBL494093
IUPHAR	N/A
BindingDB	26392
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	295.0 nM	PMID26718844	BindingDB
EC50	295.12 nM	PMID26718844	ChEMBL
Ki	15.49 nM	PMID18817367	ChEMBL
Ki	15.5 nM	PMID18817367	BindingDB
Ki	186.0 nM	PMID26718844	BindingDB
Ki	186.21 nM	PMID26718844	ChEMBL
pKb	8.08 -	PMID18817367	ChEMBL
Ratio	-0.47 -	PMID26718844	ChEMBL

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