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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	JNJ-7777120
Molecular formula	C14H16ClN3O
IUPAC name	(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
Molecular weight	277.752
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.3
Synonyms	5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1h-indole FT-0747430 MolPort-002-651-947 SCHEMBL186434 1-[(5-CHLORO-1H-INDOL-2-YL)CARBONYL]-4-METHYL-PIPERAZINE AKOS005410426 CTK8E8457 HMS3651L08 KS-00000XLK NCGC00165814-04 UNII-4H1AU2V37X (5-chloro-1H-indol-2-yl)(4-methylpiperazino)methanone 459168-41-3 BCP06355 ES-0048 J-521699 METHANONE, (5-CHLORO-1H-INDOL-2-YL)(4-METHYL-1-PIPERAZINYL)- s2905 [3H]JNJ 7777120 (5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone AB00815151-06 CHEMBL129198 GTPL1278 JNJ7777120 NCGC00165814-01 STK175446 (5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone 1-[(5-chloro-1H-indol-2-yl)carbonyl]-4-methylpiperazine AOB33758 D06IFH HUQJRYMLJBBEDO-UHFFFAOYSA-N LS-192017 RL03714 ZINC19868747 (5-Chloro-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-metha none 4H1AU2V37X BDBM22566 EX-A2082 JNJ 7777120 MFCD04343337 SB19527 1-((5-chloro-1H-indol-2-yl)carbonyl)-4-methylpiperazine AC1NK6AJ CS-4964 GTPL1279 JNJ7777120, >=98% (HPLC) NCGC00165814-02 SW219424-1 (5-chloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone 2490AH BC252565 D0E9SR HY-13508 MCULE-4664243664 RT-013403 [3H]-JNJ7777120 (5-Chloro-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-methanone [ Show all ]
Inchi Key	HUQJRYMLJBBEDO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
PubChem CID	4908365
ChEMBL	CHEMBL129198
IUPHAR	1279, 1278
BindingDB	22566
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	15.85 nM	PMID19773175	ChEMBL
EC50	25.0 nM	PMID24697360	BindingDB
EC50	25.12 nM	PMID24697360	ChEMBL
Emax	-58.7 %	PMID19773175	ChEMBL
Emax	-0.74 %	PMID21944853	ChEMBL
IC50	5.3 nM	PMID21920751	BindingDB,ChEMBL
IC50	30.0 nM	PMID21920751	BindingDB,ChEMBL
IC50	40.0 nM	PMID16366610	ChEMBL
IC50	86.0 nM	PMID16366610, PMID22749391	BindingDB,ChEMBL
IC50	199.0 nM	PMID21920751	BindingDB,ChEMBL
IC50	199.53 nM	PMID24697360	ChEMBL
IC50	200.0 nM	PMID24697360	BindingDB
IC50	221.4 nM	PMID21920751	BindingDB,ChEMBL
Intrinsic activity	-0.54 -	PMID27007611	ChEMBL
Kb	12.0 nM	PMID19791743	ChEMBL
Kb	19.1 nM	PMID27007611	ChEMBL
Kb	29.0 nM	PMID27007611	ChEMBL
Kd	3.6 nM	PMID14722321	IUPHAR
Kd	3.981 nM	PMID23558237	ChEMBL
Kd	7.244 nM	PMID12954048	ChEMBL
Kd	7.943 nM	PMID16366610	ChEMBL
Kd	10.0 nM	PMID15454206	BindingDB,ChEMBL
Ki	3.311 nM	PMID21920751	ChEMBL
Ki	4.0 nM	Med Chem Res, (2004) 13:8:619, PMID12954048, PMID22189138, PMID16366610, PMID22153663, PMID21458260	BindingDB,ChEMBL
Ki	4.1 nM	PMID14722321	BindingDB
Ki	4.169 nM	PMID19053770	ChEMBL
Ki	4.17 nM	PMID19053770	BindingDB
Ki	4.5 nM	PMID25993395	BindingDB,ChEMBL
Ki	4.898 nM	PMID26718844	ChEMBL
Ki	4.9 nM	PMID26718844	BindingDB
Ki	5.0 nM	PMID25455490, PMID24495018, PMID25595684	ChEMBL
Ki	5.0 nM	PMID25455490, PMID24495018, PMID25595684	BindingDB
Ki	5.01 - 15.8 nM	PMID15947036, PMID14722321, PMID16854056	IUPHAR
Ki	6.0 nM	PMID22153663	BindingDB,ChEMBL
Ki	6.31 nM	PMID23668417, PMID22749391	BindingDB,ChEMBL
Ki	6.8 nM	PMID21955944, PMID22189138, PMID21920751	BindingDB,ChEMBL
Ki	8.0 nM	PMID21955944, PMID22189138, PMID21920751	BindingDB,ChEMBL
Ki	12.0 nM	PMID18983139, PMID18817367, PMID18811133	BindingDB,ChEMBL
Ki	12.02 nM	PMID18983139, PMID18817367, PMID18811133	ChEMBL
Ki	13.0 nM	PMID27007611	BindingDB,ChEMBL
Ki	14.0 nM	PMID19773175	BindingDB,ChEMBL
Ki	15.85 nM	PMID18357976, PMID16854056, PMID22003888	BindingDB,ChEMBL
Ki	16.0 nM	PMID15947036	BindingDB
Ki	17.0 nM	PMID18459760, Med Chem Res, (2004) 13:8:619	BindingDB,ChEMBL
Ki	18.62 nM	PMID21944853	BindingDB,ChEMBL
Ki	19.95 nM	MedChemComm, (2013) 4:1:193, PMID15454206	ChEMBL
Ki	35.0 nM	PMID26718844	BindingDB
Ki	35.48 nM	PMID26718844	ChEMBL
Ki	38.0 nM	PMID20299215	BindingDB
Ki	46.0 nM	PMID22189138	BindingDB,ChEMBL
Ki	50.12 nM	PMID19773175	ChEMBL
Ki	69.0 nM	PMID27007611	BindingDB,ChEMBL
Ki	118.0 nM	PMID22189138	BindingDB,ChEMBL
Ki	3999450.0 nM	Med Chem Res, (2004) 13:8:619	ChEMBL
Ki	16982400.0 nM	Med Chem Res, (2004) 13:8:619	ChEMBL
Kinact	16.0 nM	PMID19791743	ChEMBL
pKb	8.31 -	PMID18983139	ChEMBL
pKb	8.37 -	PMID18817367, PMID18811133	ChEMBL
T1/2	1.033 hr	PMID22153663	ChEMBL

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