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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	CHEMBL3628052
Molecular formula	C18H21N7
IUPAC name	4-[(E)-2-(1H-indol-3-yl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
Molecular weight	335.415
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.3
Synonyms	BDBM50127259
Inchi Key	BDKRIPLJWHZQFE-VOTSOKGWSA-N
Inchi ID	InChI=1S/C18H21N7/c1-24-8-10-25(11-9-24)18-22-16(21-17(19)23-18)7-6-13-12-20-15-5-3-2-4-14(13)15/h2-7,12,20H,8-11H2,1H3,(H2,19,21,22,23)/b7-6+
PubChem CID	122193106
ChEMBL	CHEMBL3628052
IUPHAR	N/A
BindingDB	50127259
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	2525.0 nM	PMID26360048	BindingDB,ChEMBL

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