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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	CHEMBL1097065
Molecular formula	C21H30N4O3
IUPAC name	1-[(2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-pyridin-2-yloxypyrrolidin-1-yl]ethanone
Molecular weight	386.496
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	1.5
Synonyms	BDBM50317689 SCHEMBL4326962 1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-(pyridin-2-yloxy)pyrrolidin-1-yl)ethanone
Inchi Key	AIJVNDQEJSKHQU-RBUKOAKNSA-N
Inchi ID	InChI=1S/C21H30N4O3/c1-16(26)25-15-18(28-20-8-2-3-9-22-20)14-19(25)21(27)24-11-5-10-23(12-13-24)17-6-4-7-17/h2-3,8-9,17-19H,4-7,10-15H2,1H3/t18-,19+/m0/s1
PubChem CID	44598903
ChEMBL	CHEMBL1097065
IUPHAR	N/A
BindingDB	50317689
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	5.4 nM	PMID20382018	BindingDB,ChEMBL

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