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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	BURIMAMIDE
Molecular formula	C9H16N4S
IUPAC name	1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea
Molecular weight	212.315
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	0.4
Synonyms	LS-187654 TN5A4OD2TV 1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea NCGC00167790-01 AC1MHUYH HXRBAVXGYZUSED-UHFFFAOYSA-N SCHEMBL7860369 C07448 N-(4-imidazol-4-ylbutyl)-N'-methylthiourea UNII-TN5A4OD2TV CHEMBL12160 PDSP1_001097 BDBM22888 LS-187038 Thiourea, N-(4-(1H-imidazol-4-yl)butyl)-N'-methyl- 1-[4-(1H-imidazol-5-yl)butyl]-3-methyl-thiourea CHEBI:3221 N-methyl-N'-[4-(4-imidazolyl)butyl]thiourea ZINC13831238 34970-69-9 DTXSID00188519 PDSP2_001081 [ Show all ]
Inchi Key	HXRBAVXGYZUSED-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
PubChem CID	3032915
ChEMBL	CHEMBL12160
IUPHAR	N/A
BindingDB	22888
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	100.0 nM	Med Chem Res, (2004) 13:1:78	ChEMBL
Ki	13.0 nM	PMID15947036	BindingDB
Ki	77.62 nM	PMID11714875	BindingDB
Ki	77.6247 nM	PMID11714875	PDSP
Ki	84.0 nM	PMID12954048, PMID11179434	PDSP,BindingDB,ChEMBL

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