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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	CHEMBL2207640
Molecular formula	C28H36N4O
IUPAC name	1-(2-methoxyphenyl)-4-[[3-[(4-methylpiperazin-1-yl)methyl]azulen-1-yl]methyl]piperazine
Molecular weight	444.623
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.0
Synonyms	BDBM50401945
Inchi Key	PLYQWXWXIUOYQJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H36N4O/c1-29-12-14-30(15-13-29)21-23-20-24(26-9-5-3-4-8-25(23)26)22-31-16-18-32(19-17-31)27-10-6-7-11-28(27)33-2/h3-11,20H,12-19,21-22H2,1-2H3
PubChem CID	71450707
ChEMBL	CHEMBL2207640
IUPHAR	N/A
BindingDB	50401945
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	<10000.0 nM	PMID23099096	BindingDB,ChEMBL

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