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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	CHEMBL3236568
Molecular formula	C11H19N5
IUPAC name	4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
Molecular weight	221.308
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	0.9
Synonyms	BDBM50006758 SCHEMBL603036
Inchi Key	YTSCCHQLULFXJD-SECBINFHSA-N
Inchi ID	InChI=1S/C11H19N5/c1-3-8-6-10(15-11(12)14-8)16-5-4-9(7-16)13-2/h6,9,13H,3-5,7H2,1-2H3,(H2,12,14,15)/t9-/m1/s1
PubChem CID	42624149
ChEMBL	CHEMBL3236568
IUPHAR	N/A
BindingDB	50006758
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<10000.0 nM	PMID24495018	BindingDB,ChEMBL
Kd	10.0 nM	PMID24495018	ChEMBL
Ki	21.0 nM	PMID25455490, PMID24495018	BindingDB,ChEMBL

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