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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	imetit
Molecular formula	C6H10N4S
IUPAC name	2-(1H-imidazol-5-yl)ethyl carbamimidothioate
Molecular weight	170.234
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	0.2
Synonyms	LS-171808 NCGC00024754-03 {[2-(1H-imidazol-5-yl)ethyl]sulfanyl}methanimidamide C17931 CTK4A0786 NCGC00015536-03 SCHEMBL114670 102203-18-9 AC1Q7DRW Carbamimidothioic acid,2-(1H-imidazol-5-yl)ethyl ester GTPL1250 Lopac-I-135 NCGC00024754-01 ZINC5425255 2-(1h-imidazol-5-yl)ethyl carbamimidothioate AKOS030611171 NCGC00015536-01 S-(2-(4-Imidazolyl)ethyl)isothiourea 677MJ4VPZC C6H10N4S D02RAN NCGC00015536-04 Tocris-0729 ACMC-20m57g CCG-204732 Lopac0_000645 NCGC00024754-02 {[2-(1H-imidazol-4-yl)ethyl]sulfanyl}methanimidamide 2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide BDBM22911 CHEMBL19439 NCGC00015536-02 S-[2-(4-imidazolyl)ethyl]isothiourea AC1L1GI2 Carbamimidothioic acid, 2-(1H-imidazol-4-yl)ethyl ester DTXSID8043737 L000309 NCGC00015536-05 UNII-677MJ4VPZC 2-(1H-Imidazol-4-yl)ethyl carbamimidothioate AKOS006273468 CHEBI:64156 [ Show all ]
Inchi Key	PEHSVUKQDJULKE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
PubChem CID	3692
ChEMBL	CHEMBL19439
IUPHAR	1250
BindingDB	22911
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	12.59 nM	PMID21044842, PMID21062081	BindingDB,ChEMBL
EC50	51.0 nM	PMID12723960	BindingDB,ChEMBL
Intrinsic activity	0.9 -	PMID21044842	ChEMBL
Ki	1.25893 - 6.30957 nM	PMID11179434, PMID11561071, PMID11181941, PMID11179436	IUPHAR
Ki	1.6 nM	PMID21498080	BindingDB,ChEMBL
Ki	2.7 nM	PMID11179434	PDSP,BindingDB
Ki	3.6 nM	PMID18459760	BindingDB,ChEMBL
Ki	6.0 nM	PMID15947036	BindingDB
Ki	6.31 nM	PMID19414267, PMID21044842, PMID22003888	BindingDB,ChEMBL
Ki	3795.6 nM	PMID11179435	PDSP,BindingDB

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