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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	CHEMBL2314768
Molecular formula	C18H21FN6
IUPAC name	6-(4-fluorophenyl)-7-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine
Molecular weight	340.406
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.3
Synonyms	BDBM50424317
Inchi Key	AEGRTUFQJWZVMR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21FN6/c1-23-7-9-25(10-8-23)17-14-11-15(12-3-5-13(19)6-4-12)24(2)16(14)21-18(20)22-17/h3-6,11H,7-10H2,1-2H3,(H2,20,21,22)
PubChem CID	71519499
ChEMBL	CHEMBL2314768
IUPHAR	N/A
BindingDB	50424317
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	67870.0 nM	PMID23218604	BindingDB,ChEMBL

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