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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	CHEMBL1084616
Molecular formula	C21H22N6
IUPAC name	6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)quinoline
Molecular weight	358.449
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.3
Synonyms	BDBM50319564 SCHEMBL3457090 (R)-2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
Inchi Key	AGDVFPLNDDIXBY-OAHLLOKOSA-N
Inchi ID	InChI=1S/C21H22N6/c1-15-3-2-10-26(15)11-8-16-4-6-18-17(13-16)5-7-19(24-18)20-9-12-27-21(25-20)22-14-23-27/h4-7,9,12-15H,2-3,8,10-11H2,1H3/t15-/m1/s1
PubChem CID	11581252
ChEMBL	CHEMBL1084616
IUPHAR	N/A
BindingDB	50319564
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	0.69 nM	PMID20457525	BindingDB,ChEMBL
Ki	0.7 nM	PMID21802950	BindingDB,ChEMBL

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