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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	CHEMBL1935574
Molecular formula	C16H17N5O
IUPAC name	7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine
Molecular weight	295.346
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	1.7
Synonyms	BDBM50361012 SCHEMBL3363811
Inchi Key	UBEJREHBDACTGD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H17N5O/c17-16-19-13-10-11(14-2-1-9-22-14)3-4-12(13)15(20-16)21-7-5-18-6-8-21/h1-4,9-10,18H,5-8H2,(H2,17,19,20)
PubChem CID	56835171
ChEMBL	CHEMBL1935574
IUPHAR	N/A
BindingDB	50361012
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	106.0 nM	PMID22153663	BindingDB,ChEMBL
Kd	40.74 nM	PMID23558237	ChEMBL
Ki	7.0 nM	PMID22153663	BindingDB,ChEMBL
Ki	15.14 nM	PMID23558237	ChEMBL
Ki	16.0 nM	PMID22153663	BindingDB,ChEMBL
T1/2	0.06833 hr	PMID22153663	ChEMBL

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