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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	CHEMBL161130
Molecular formula	C27H32N2O3
IUPAC name	[4-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
Molecular weight	432.564
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.6
Synonyms	4-(4-{2-[2-(2-methyl-1-piperidinyl)ethyl]-1-benzofuran-5-yl}benzoyl)morpholine AWAROEZGWJEDHM-UHFFFAOYSA-N 4-(4-{2-[2-(2-methyl1--piperidinyl)ethyl]-1-benzofuran-5-yl}benzoyl)morpholine BDBM50139402 (4-{2-[2-(2-Methyl-piperidin-1-yl)-ethyl]-benzofuran-5-yl}-phenyl)-morpholin-4-yl-methanone SCHEMBL2785692 [ Show all ]
Inchi Key	AWAROEZGWJEDHM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H32N2O3/c1-20-4-2-3-12-28(20)13-11-25-19-24-18-23(9-10-26(24)32-25)21-5-7-22(8-6-21)27(30)29-14-16-31-17-15-29/h5-10,18-20H,2-4,11-17H2,1H3
PubChem CID	11743550
ChEMBL	CHEMBL161130
IUPHAR	N/A
BindingDB	50139402
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	3.0 nM	PMID14741270	BindingDB,ChEMBL
Ki	3.02 nM	PMID14741270	ChEMBL

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