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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	UNII-3SH45L9H3Z
Molecular formula	C15H19IN4S
IUPAC name	3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate
Molecular weight	414.309
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.3
Synonyms	BRD-K51918615-303-01-1 NCGC00024785-02 3SH45L9H3Z Tocris-0779 BDBM22913 L000316 {[3-(1H-imidazol-5-yl)propyl]sulfanyl}-N''''-[2-(4-iodophenyl)ethyl]methanimidamide 3-(1H-Imidazol-5-yl)propyl N'-(2-(4-iodophenyl)ethyl)imidothiocarbamate Carbamimidothioic acid, [2-(4-iodophenyl)ethyl]-,3-(1H-imidazol-4-yl)propyl ester SCHEMBL114508 CHEMBL498770 145196-88-9 BDBM50170165 NCGC00024785-01 3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate CHEBI:92905 SCHEMBL13039517 AC1MHZWP DTXSID20273996 ZINC14979644 [ Show all ]
Inchi Key	UBHYDQAARZKHEZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
PubChem CID	3035746
ChEMBL	CHEMBL498770
IUPHAR	N/A
BindingDB	22913, 50170165
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kb	19.0 nM	PMID27007611	ChEMBL
Kb	30.0 nM	PMID19791743	ChEMBL
Ki	7.8 nM	PMID18459760	BindingDB,ChEMBL
Ki	13.0 nM	PMID15947036	BindingDB
Ki	15.85 nM	PMID19414267	BindingDB
Ki	16.0 nM	PMID27007611	BindingDB,ChEMBL
Kinact	13.0 nM	PMID19791743	ChEMBL

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