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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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Go to the ligand page and check other GPCRs which it interacts with.
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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	4-Methylhistamine
Molecular formula	C6H11N3
IUPAC name	2-(5-methyl-1H-imidazol-4-yl)ethanamine
Molecular weight	125.175
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	-0.2
Synonyms	LS-78033 SCHEMBL11452941 1H-Imidazole-4-ethanamine, 5-methyl- 2-(5-Methyl-4-imidazolyl)ethylamine Dihydrochloride 5(4)-Methylhistamine Dihydrochloride AKOS012036768 MolPort-006-803-984 UNII-54ST71P9EE 2-(5-methyl-1H-imidazol-4-yl)ethan-1-amine 36507-31-0 5-Methyl-1H-imidazole-4-ethanamine Hydrochloride AN-9442 EN300-82322 IMIDAZOLE, 4-(2-AMINOETHYL)-5-METHYL- PDSP2_000398 2-(5-METHYL-3H-IMIDAZOL-4-YL)-ETHYLAMINE AB45417 C17929 MCULE-8926131767 SCHEMBL606803 2-(4-METHYL-1H-IMIDAZOL-5-YL)ETHAN-1-AMINE 5-(2-Aminoethyl)-4-methylimidazole AKOS022477289 CHEMBL275443 p-methylhistamine ZINC3605034 2-(5-methyl-1H-imidazol-4-yl)ethanamine 4-Methyl Histamine Dihydrochloride 5-Methylhistamine BDBM22880 FT-0736440 L000072 SC-51140 1H-Imidazo-4-ethanamine, 5-methyl- 2-(5-Methyl-4-imidazolyl)ethylamine 5(4)-Methylhistamine AC1L1XS2 CHEBI:74760 Methylhistamine-4 UGYXPZQILZRKJJ-UHFFFAOYSA-N 2-(4-METHYL-1H-IMIDAZOL-5-YL)ETHANAMINE 36376-47-3 (di-hydrochloride) 5-Methyl-1H-imidazole-4-ethanamine ALBB-030504 D02SQF PDSP1_000400 2-(5-Methyl-1H-imidazol-4-yl)ethylamine # 4-Methyl-1H-imidazole-5-ethanamine 54ST71P9EE BRD-K70821460-300-01-6 GTPL1269 [ Show all ]
Inchi Key	UGYXPZQILZRKJJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C6H11N3/c1-5-6(2-3-7)9-4-8-5/h4H,2-3,7H2,1H3,(H,8,9)
PubChem CID	37463
ChEMBL	CHEMBL275443
IUPHAR	1269
BindingDB	22880
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	12400.0 nM	PMID27007611	BindingDB,ChEMBL
Intrinsic activity	0.7 -	PMID27007611	ChEMBL
Ki	6309.57 nM	PMID21044842	ChEMBL

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