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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	JNJ-39758979
Molecular formula	C11H19N5
IUPAC name	4-[(3R)-3-aminopyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
Molecular weight	221.308
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	0.7
Synonyms	JNJ 39758979 UNII-5RV7T5BNMG 1046447-90-8 JNL-39758979 GTPL8984 SB16804 AKOS030628488 ZINC114197058 2-Pyrimidinamine, 4-((3R)-3-amino-1-pyrrolidinyl)-6-(1-methylethyl)- CHEMBL3236549 KS-0000063V 5RV7T5BNMG HY-101189 SCHEMBL604514 (r)-4-(3-amino-pyrrolidin-1-yl)-6-isopropyl-pyrimidin-2-ylamine BDBM50006789 jnj39758979 4-[(3R)-3-aminopyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine CS-0020957 MolPort-044-723-874 [ Show all ]
Inchi Key	COOGVHJHSCBOQT-MRVPVSSYSA-N
Inchi ID	InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
PubChem CID	24994634
ChEMBL	CHEMBL3236549
IUPHAR	8984
BindingDB	50006789
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	12.59 nM	PMID24495018	ChEMBL
Ki	<10000.0 nM	PMID24495018	BindingDB,ChEMBL
Ki	12.0 nM	PMID25595684, PMID25993395	BindingDB,ChEMBL
Ki	12.5 nM	PMID26084539, PMID24495018, PMID24495018	IUPHAR,ChEMBL
Ki	13.0 nM	PMID24495018	BindingDB

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