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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Histamine H3 receptor
Species	Homo sapiens (Human)
Gene	HRH3
Synonym	HH3R H3R H3 receptor GPCR97 G-protein coupled receptor 97
Disease	Obese insulin-resistant disorders Excessive daytime sleepiness Sleep disorders Schizophrenia Pain Obesity Metabolic disorders Mild to moderate alzheimer disease; Dementia Narcolepsy Neurological disease Eating disorder; Epilepsy; Pain Diabetic neuropathy; Musculoskeletal pain Dementia Alcohol use disorders Allergic rhinitis Alzheimer disease Alzheimer disease; Schizophrenia Anxiety disorder Attention deficit hyperactivity disorder Central nervous system disease Cognitive disorders [ Show all ]
Length	445
Amino acid sequence	MERAPPDGPLNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMLLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGAREAAGPEPPPEAQPSPPPPPGCWGCWQKGHGEAMPLHRYGVGEAAVGAEAGEATLGGGGGGGSVASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSFTQRFRLSRDRKVAKSLAVIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHHSFRRAFTKLLCPQKLKIQPHSSLEHCWK
UniProt	Q9Y5N1
Protein Data Bank	N/A
GPCR-HGmod model	Q9Y5N1
3D structure model	This predicted structure model is from GPCR-EXP Q9Y5N1.
BioLiP	N/A
Therapeutic Target Database	T64765
ChEMBL	CHEMBL264
IUPHAR	264
DrugBank	BE0000968

Ligand

Name	Thioperamide
Molecular formula	C15H24N4S
IUPAC name	N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
Molecular weight	292.445
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.4
Synonyms	MolPort-023-275-907 NCGC00015988-02 QKDDJDBFONZGBW-UHFFFAOYSA-N C17933 GTPL1267 L000596 N-Cyclohexyl-4-(1H-imidazol-5-yl)-1-piperidinecarbothioamide NCGC00015988-05 Thioperamide maleate AKOS030228083 LS-114470 N-Cyclohexyl-4-(imidazol-4-yl)-1-piperidinecarbothioamide NCGC00024704-02 ZINC13108134 106243-16-7 BDBM22914 DTXSID50147555 II4319BWUI MR 12842 NCGC00015988-03 SCHEMBL2235762 AC1MI071 CCG-205288 Lopac-T-123 N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide NCGC00015988-11 Tocris-0644 API0007635 CHEMBL260374 MolPort-015-163-994 NCGC00015988-01 NCGC00024704-03 BRD-K63874012-103-01-5 FJZ KS-000001KM N-Cyclohexy-4-(imidazol-4-yl)-1-piperidinecarbothioamide NCGC00015988-04 AKOS024458593 CHEBI:81391 Lopac0_001214 N-cyclohexyl-4-(3H-imidazol-4-yl)piperidine-1-carbothioamide NCGC00024704-01 UNII-II4319BWUI 1-Piperidinecarbothioamide, N-cyclohexyl-4-(1H-imidazol-4-yl)- B6390 D05FYA [ Show all ]
Inchi Key	QKDDJDBFONZGBW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
PubChem CID	3035905
ChEMBL	CHEMBL260374
IUPHAR	1267
BindingDB	22914
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	-0.71 -	PMID19317445	ChEMBL
EC50	39.81 nM	PMID21348462	BindingDB,ChEMBL
EC50	97.72 nM	PMID19317445, PMID19791743	BindingDB,ChEMBL
EC50	98.0 nM	PMID19317445	BindingDB
EC50	100.0 nM	MedChemComm, (2010) 1:1:39	ChEMBL
IC50	16.0 nM	PMID16942032	BindingDB,ChEMBL
IC50	120.0 nM	PMID23978359	ChEMBL
IC50	517.5 nM	PMID22019465	ChEMBL
IC50	518.0 nM	PMID22019465	BindingDB
Inhibition	98.0 %	PMID20397706, PMID16942032	ChEMBL
Intrinsic activity	-0.59 -	PMID27007611	ChEMBL
Kb	78.0 nM	PMID27007611	ChEMBL
Kd	43.65 nM	PMID15771465	BindingDB,ChEMBL
Kd	63.1 nM	PMID19577344	ChEMBL
Ki	<10000.0 nM	PMID10347254	PDSP,BindingDB
Ki	14.0 nM	PMID15139761, PMID15634025	BindingDB,ChEMBL
Ki	19.9 - 79.4 nM	PMID12606603, PMID15294456, PMID10869375, PMID11284713, PMID11714875, PMID11090094, PMID12393057	IUPHAR
Ki	25.0 nM	PMID12954048, PMID11179434	PDSP,BindingDB,ChEMBL
Ki	28.84 nM	PMID15771465	BindingDB,ChEMBL
Ki	29.51 nM	PMID21348462	BindingDB,ChEMBL
Ki	31.62 nM	PMID19524331	BindingDB,ChEMBL
Ki	39.81 nM	PMID15466448	BindingDB
Ki	39.8107 nM	PMID15466448	PDSP
Ki	50.0 nM	PMID15947036	BindingDB
Ki	50.12 nM	PMID19414267, PMID21062081	BindingDB,ChEMBL
Ki	51.1 nM	PMID20397706, PMID16942032	BindingDB,ChEMBL
Ki	58.0 nM	PMID10869375	PDSP,BindingDB
Ki	60.0 nM	PMID19846299, PMID12672253, PMID21498080, PMID11294398	BindingDB,ChEMBL
Ki	61.3 nM	PMID15033391	PDSP,BindingDB
Ki	63.0 nM	PMID19577344	BindingDB,ChEMBL
Ki	63.1 nM	PMID19773175	ChEMBL
Ki	66.0693 nM	PMID11714875, PMID12606603	PDSP
Ki	66.07 nM	PMID11714875, PMID12606603, PMID18683917	BindingDB,ChEMBL
Ki	70.79 nM	PMID24650714	ChEMBL
Ki	71.0 nM	PMID24650714	BindingDB
Ki	72.0 nM	PMID15634000, PMID18683917	BindingDB,ChEMBL
Ki	72.44 nM	PMID15634000, PMID12606603, PMID18683917	BindingDB,ChEMBL
Ki	72.4436 nM	PMID12606603	PDSP
Ki	72.6 nM	PMID15033391	BindingDB
Ki	158.49 nM	MedChemComm, (2010) 1:1:39	ChEMBL
Ki	602.56 nM	PMID23891186	ChEMBL
pKb	6.1 -	PMID18683917	ChEMBL
pKb	6.82 -	PMID15634000, PMID18683917	ChEMBL
pKb	7.01 -	MedChemComm, (2014) 5:1:72	ChEMBL
pKb	7.39 -	PMID18683917	ChEMBL
Ratio	9.0 -	PMID11294398	ChEMBL

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