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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	PF-3893787
Molecular formula	C13H22N6
IUPAC name	4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
Molecular weight	262.361
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	1.1
Synonyms	BDBM50356884 PF-03893787 ZPL3893787 D02DTQ SCHEMBL12604990 N'-(cyclopropylmethyl)-6-[(3R)-3-methylaminopyrrolidin-1-yl]pyrimidine-2,4-diamine ZPL-3893787 PF-3826719 2,4-Pyrimidinediamine, N4-(cyclopropylmethyl)-6-((3R)-3-(methylamino)-1-pyrrolidinyl)- D65H9YE9VU UNII-D65H9YE9VU 943057-12-3 PF 3893787 ZPL389 CHEMBL1915540 GTPL8985 ZPL-389 [ Show all ]
Inchi Key	ISBHYKVAFKTATD-SNVBAGLBSA-N
Inchi ID	InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1
PubChem CID	24745335
ChEMBL	CHEMBL1915540
IUPHAR	8985
BindingDB	50356884
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.65 nM	PMID21920751	BindingDB,ChEMBL
IC50	1.3 nM	PMID21920751	BindingDB,ChEMBL
IC50	4.9 nM	PMID21920751	BindingDB,ChEMBL
IC50	>30.0 nM	PMID21920751	ChEMBL
IC50	53.7 nM	PMID23558237	ChEMBL
Kd	25.12 nM	PMID23558237	ChEMBL
Ki	1.56 nM	PMID21920751	BindingDB,ChEMBL
Ki	2.4 nM	PMID21920751, PMID25993395	BindingDB,ChEMBL
Ki	4.89778 nM	PMID26084539	IUPHAR
Ki	6.166 nM	PMID21920751, PMID25993395	ChEMBL
Ki	6.2 nM	PMID25993395	BindingDB
Ki	10.23 nM	PMID23558237	ChEMBL
pKb	8.46 -	PMID23558237	ChEMBL

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