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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	SCHEMBL606676
Molecular formula	C19H25N5
IUPAC name	9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
Molecular weight	323.444
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.9
Synonyms	9-phenyl-4-(piperazin-1-yl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-amine CHEMBL492231 2,4-diamino-5,6-disubstituted pyrimidine, 14 BDBM26400
Inchi Key	LTSQOGQDXSXTPV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H25N5/c20-19-22-17-15(14-6-2-1-3-7-14)8-4-5-9-16(17)18(23-19)24-12-10-21-11-13-24/h1-3,6-7,15,21H,4-5,8-13H2,(H2,20,22,23)
PubChem CID	25129169
ChEMBL	CHEMBL492231
IUPHAR	N/A
BindingDB	26400
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	39.8 nM	PMID18817367	ChEMBL
Ki	39.81 nM	PMID18817367, PMID20171098	BindingDB,ChEMBL
Ki	40.0 nM	PMID18817367	BindingDB
pKb	7.24 -	PMID18817367, PMID20171098	ChEMBL

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