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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	CHEMBL3804906
Molecular formula	C12H18N6
IUPAC name	1-cyano-3-[[(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methyl]-2-methylguanidine
Molecular weight	246.318
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	0.6
Synonyms	BDBM50170118
Inchi Key	WYMMYOFAUJTQKL-UWVGGRQHSA-N
Inchi ID	InChI=1S/C12H18N6/c1-14-12(17-7-13)16-5-9-2-3-10(4-9)11-6-15-8-18-11/h6,8-10H,2-5H2,1H3,(H,15,18)(H2,14,16,17)/t9-,10-/m0/s1
PubChem CID	127051301
ChEMBL	CHEMBL3804906
IUPHAR	N/A
BindingDB	50170118
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	63.0 nM	PMID27007611	BindingDB,ChEMBL
EC50	100.0 nM	PMID27007611	BindingDB,ChEMBL
EC50	206.0 nM	PMID27007611	BindingDB,ChEMBL
Intrinsic activity	0.66 -	PMID27007611	ChEMBL
Intrinsic activity	0.74 -	PMID27007611	ChEMBL
Intrinsic activity	1.0 -	PMID27007611	ChEMBL
Ki	98.0 nM	PMID27007611	BindingDB,ChEMBL
Ki	240.0 nM	PMID27007611	BindingDB,ChEMBL

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