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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	donepezil
Molecular formula	C24H29NO3
IUPAC name	2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
Molecular weight	379.5
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.3
Synonyms	32288-EP2305664A1 AB00640013-07 AK-72906 BCPP000253 CS-2866 014D064 EBD50998 2-((1-Benzylpiperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one KB-67912 32288-EP2269990A1 MRF-0000323 32288-EP2295417A1 SCHEMBL2149 Spectrum_001664 32288-EP2311823A1 AB00640013_10 Aricept BRD-A49160188-003-04-4 D0NS6H Donepezil [INN:BAN] 142057-79-2 GTPL6599 2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-indan-1-one KBio2_007280 32288-EP2280010A2 PubChem22271 32288-EP2298761A1 TL8000531 AC1L1FAE BCP07590 Domepezil (+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-indan-1-one DTXSID8048317 2,3-dihydro-5,6-dimethoxy-2 [[1-(phenyl methyl)-4-piperidinyl]methyl]-1H-inden-1-one I06-0343 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one LS-81819 32288-EP2289882A1 SBI-0206789.P001 32288-EP2301933A1 32288-EP2305675A1 AB00640013-08 AKOS000277311 BDBM8960 CTK4C2920 Donepezil (INN) 1-Benzyl-4-[(5,6-dimethoxy-1-oxoindan-2-yl)methyl]piperidine; Donepezil Eranz 2-[(1-benzyl-4-piperidyl)methyl]- 5,6-dimethoxy-2,3-dihydroinden-1-one KBio2_002144 32288-EP2275420A1 NCGC00167537-01 32288-EP2298758A1 SCHEMBL8265876 ST2409236 32288-EP2311827A1 AB1004836 Aricept ODT C24H29NO3 donepezilo 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-((1-(phenylmethyl)-4-piperidinyl)methyl)- HSDB 7743 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one KBioSS_002144 32288-EP2281815A1 Q-100098 32288-EP2298772A1 32288-EP2305640A2 Z1741977105 AB0013927 ADEBPBSSDYVVLD-UHFFFAOYSA-N BCP9000622 CHEMBL502 Donaz (TN) (RS)-2-[(1-BENZYL-PIPERIDIN-4-YL)METHYL]-5,6-DIMETHOXYINDAN-1-ONE E2020 2,3-dihydro-5,6-dimethoxy-2[[1-(phenyl methyl)-4-piperidinyl]methyl]-1H-inden-1-one I903 32288-EP2269989A1 MolPort-003-847-014 32288-EP2289886A1 SC-19032 32288-EP2308839A1 AB00640013_09 AN-9524 BR-72906 D07869 Donepezil (transdermal patch, Alzheimer's disease) 120014-06-4 FT-0601545 2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one KBio2_004712 32288-EP2278970A1 Oprea1_188452 32288-EP2298759A1 Spectrum5_001662 STK003905 5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-2,3-dihydroinden-1-one AC-6969 BC204600 CHEBI:53289 DB00843 donepezilum 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]- HY-14566 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one KS-00000KZG 32288-EP2283811A1 S-6065 32288-EP2298776A1 [ Show all ]
Inchi Key	ADEBPBSSDYVVLD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
PubChem CID	3152
ChEMBL	CHEMBL502
IUPHAR	N/A
BindingDB	8960
DrugBank	DB00843
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	350.0 nM	PMID18249544	BindingDB,ChEMBL

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