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GLASS

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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	CHEMBL453654
Molecular formula	C25H29N3O3
IUPAC name	2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methoxy-3-methylquinazolin-4-one
Molecular weight	419.525
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.0
Synonyms	6-Methoxy-3-methyl-2-[4-(1-cyclobutyl-4-piperidinyloxy)-phenyl]-4(3H)-quinazolinone 2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-6-methoxy-3-methylquinazolin-4(3H)-one AKNFPZICZLISBZ-UHFFFAOYSA-N BDBM50246333 SCHEMBL2003145
Inchi Key	AKNFPZICZLISBZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H29N3O3/c1-27-24(26-23-11-10-21(30-2)16-22(23)25(27)29)17-6-8-19(9-7-17)31-20-12-14-28(15-13-20)18-4-3-5-18/h6-11,16,18,20H,3-5,12-15H2,1-2H3
PubChem CID	11502638
ChEMBL	CHEMBL453654
IUPHAR	N/A
BindingDB	50246333
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.31 nM	PMID18952421	BindingDB,ChEMBL
Ki	0.09375 nM	PMID21802950	BindingDB,ChEMBL

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