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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	CHEMBL1222596
Molecular formula	C28H32N8O
IUPAC name	1-[(1-benzyltetrazol-5-yl)-(4-pyrimidin-2-yloxyphenyl)methyl]-4-cyclobutyl-1,4-diazepane
Molecular weight	496.619
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	4.0
Synonyms	BDBM50325097 SCHEMBL4202088 1-((1-benzyl-1H-tetrazol-5-yl)(4-(pyrimidin-2-yloxy)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
Inchi Key	ACYKVZCVPYZMEC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H32N8O/c1-2-7-22(8-3-1)21-36-27(31-32-33-36)26(35-18-6-17-34(19-20-35)24-9-4-10-24)23-11-13-25(14-12-23)37-28-29-15-5-16-30-28/h1-3,5,7-8,11-16,24,26H,4,6,9-10,17-21H2
PubChem CID	44158482
ChEMBL	CHEMBL1222596
IUPHAR	N/A
BindingDB	50325097
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	12.0 nM	PMID20667729	BindingDB,ChEMBL

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