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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 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	CHEMBL3935833
Molecular formula	C20H31N5O4
IUPAC name	[1-(5-carbamoylpyridin-2-yl)piperidin-4-yl] 4-(1-methoxypropan-2-yl)piperazine-1-carboxylate
Molecular weight	405.499
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	0.7
Synonyms	BDBM197100 SCHEMBL14843870 US9216182, 1.46
Inchi Key	AFRYPGHDTPQVRQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H31N5O4/c1-15(14-28-2)23-9-11-25(12-10-23)20(27)29-17-5-7-24(8-6-17)18-4-3-16(13-22-18)19(21)26/h3-4,13,15,17H,5-12,14H2,1-2H3,(H2,21,26)
PubChem CID	89487682
ChEMBL	CHEMBL3935833
IUPHAR	N/A
BindingDB	197100
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	45.0 nM	, None	BindingDB,ChEMBL
Ki	518.0 nM	, None	BindingDB,ChEMBL

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