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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	CHEMBL1222594
Molecular formula	C29H33N7
IUPAC name	1-[(1-benzyltetrazol-5-yl)-(4-pyridin-2-ylphenyl)methyl]-4-cyclobutyl-1,4-diazepane
Molecular weight	479.632
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.4
Synonyms	BDBM50325095 SCHEMBL4018269 1-((1-benzyl-1H-tetrazol-5-yl)(4-(pyridin-2-yl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
Inchi Key	AJZCGKROIWRVES-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H33N7/c1-2-8-23(9-3-1)22-36-29(31-32-33-36)28(35-19-7-18-34(20-21-35)26-10-6-11-26)25-15-13-24(14-16-25)27-12-4-5-17-30-27/h1-5,8-9,12-17,26,28H,6-7,10-11,18-22H2
PubChem CID	49864869
ChEMBL	CHEMBL1222594
IUPHAR	N/A
BindingDB	50325095
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	5.9 nM	PMID20667729	BindingDB,ChEMBL

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