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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	UNII-67WL275ISI
Molecular formula	C26H34N2O3
IUPAC name	[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone
Molecular weight	422.569
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.4
Synonyms	67WL275ISI KB-78395 {4''-[3-((2R,5R)-2,5-Dimethyl-pyrrolidin-1-yl)-propoxy]-biphenyl-4-yl}-morpholin-4-yl-methanone A-349821 free base Morpholine, 4-((4'-(3-((2R,5R)-2,5-dimethyl-1-pyrrolidinyl)propoxy)(1,1'-biphenyl)-4-yl)carbonyl)- (9ci) (4''-(3-((2R,5R)-2,5-dimethylpyrrolidin-1-yl)propoxy)biphenyl-4-yl)(morpholino)methanone ZINC3975242 4-[3-[(2R)-2alpha,5beta-Dimethylpyrrolizino]propoxy]-4'-(morpholinocarbonyl)biphenyl A-349,821 Methanone, (4'-(3-((2R,5R)-2,5-dimethyl-1-pyrrolidinyl)propoxy)(1,1'-biphenyl)-4-yl)-4-morpholinyl- BDBM50158595 SCHEMBL7594032 372513-99-0 CHEMBL179702 {4''''-[3-((2R,5R)-2,5-Dimethyl-pyrrolidin-1-yl)-propoxy]-biphenyl-4-yl}-morpholin-4-yl-methanone A-349821 Methanone,[4'-[3-[(2R,5R)-2,5-dimethyl-1-pyrrolidinyl]propoxy][1,1'-biphenyl]-4-yl]-4-morpholinyl- CFUHKRLMDNFZED-NHCUHLMSSA-N 4-[(4'-{3-[(2R,5R)-2,5-dimethylpyrrolidinyl]propoxy}[1,1'-biphenyl]-4-yl)carbonyl]morpholine [ Show all ]
Inchi Key	CFUHKRLMDNFZED-NHCUHLMSSA-N
Inchi ID	InChI=1S/C26H34N2O3/c1-20-4-5-21(2)28(20)14-3-17-31-25-12-10-23(11-13-25)22-6-8-24(9-7-22)26(29)27-15-18-30-19-16-27/h6-13,20-21H,3-5,14-19H2,1-2H3/t20-,21-/m1/s1
PubChem CID	9954017
ChEMBL	CHEMBL179702
IUPHAR	N/A
BindingDB	50158595
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	0.4074 nM	PMID15634000	ChEMBL
Ki	0.41 nM	PMID15608078, PMID15634000	BindingDB,ChEMBL
Ki	0.43 nM	PMID15608078	BindingDB
pKb	8.27 -	PMID15634000	ChEMBL

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