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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	CHEMBL3236565
Molecular formula	C14H23N5O
IUPAC name	(3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol
Molecular weight	277.372
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	0.8
Synonyms	BDBM50006754 SCHEMBL605697
Inchi Key	ADNLUQHYCDGVML-RYUDHWBXSA-N
Inchi ID	InChI=1S/C14H23N5O/c1-16-11-7-19(8-12(11)20)13-6-10(17-14(15)18-13)9-4-2-3-5-9/h6,9,11-12,16,20H,2-5,7-8H2,1H3,(H2,15,17,18)/t11-,12-/m0/s1
PubChem CID	24994636
ChEMBL	CHEMBL3236565
IUPHAR	N/A
BindingDB	50006754
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	30.0 nM	PMID24495018	BindingDB,ChEMBL

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