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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.
Go to the GPCR page and check other ligands which interact with it.
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	imetit
Molecular formula	C6H10N4S
IUPAC name	2-(1H-imidazol-5-yl)ethyl carbamimidothioate
Molecular weight	170.234
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	0.2
Synonyms	C6H10N4S D02RAN NCGC00015536-01 S-(2-(4-Imidazolyl)ethyl)isothiourea 677MJ4VPZC CCG-204732 NCGC00015536-04 Tocris-0729 ACMC-20m57g BDBM22911 CHEMBL19439 Lopac0_000645 NCGC00024754-02 {[2-(1H-imidazol-4-yl)ethyl]sulfanyl}methanimidamide 2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide Carbamimidothioic acid, 2-(1H-imidazol-4-yl)ethyl ester DTXSID8043737 NCGC00015536-02 S-[2-(4-imidazolyl)ethyl]isothiourea AC1L1GI2 CHEBI:64156 L000309 NCGC00015536-05 UNII-677MJ4VPZC 2-(1H-Imidazol-4-yl)ethyl carbamimidothioate AKOS006273468 C17931 CTK4A0786 LS-171808 NCGC00024754-03 {[2-(1H-imidazol-5-yl)ethyl]sulfanyl}methanimidamide Carbamimidothioic acid,2-(1H-imidazol-5-yl)ethyl ester GTPL1250 NCGC00015536-03 SCHEMBL114670 102203-18-9 AC1Q7DRW Lopac-I-135 NCGC00024754-01 ZINC5425255 2-(1h-imidazol-5-yl)ethyl carbamimidothioate AKOS030611171 [ Show all ]
Inchi Key	PEHSVUKQDJULKE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
PubChem CID	3692
ChEMBL	CHEMBL19439
IUPHAR	1250
BindingDB	22911
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	91.0 %	PMID20384344	ChEMBL
EC50	0.1259 nM	PMID21044842	ChEMBL
EC50	1.9 nM	PMID12723960	BindingDB,ChEMBL
EC50	2.4 nM	PMID20384344	BindingDB,ChEMBL
Intrinsic activity	1.0 -	PMID21044842	ChEMBL
Ki	<10000.0 nM	PMID10347254	PDSP,BindingDB
Ki	0.199526 - 1.58489 nM	PMID10869375, PMID11284713, PMID11714875, PMID12393057, PMID11179434	IUPHAR
Ki	0.3 nM	PMID11179434	PDSP,BindingDB
Ki	0.57 nM	PMID20384344	BindingDB
Ki	0.57 nM	PMID20384344	PDSP
Ki	0.57 nM	PMID20384344	ChEMBL
Ki	0.6 nM	PMID10869375	PDSP,BindingDB
Ki	0.7 nM	PMID21498080	BindingDB,ChEMBL
Ki	1.58 nM	PMID19414267, PMID22003888	BindingDB
Ki	1.585 nM	PMID19414267, PMID21044842, PMID22003888	ChEMBL
Ki	1.62 nM	PMID11714875	BindingDB
Ki	1.62181 nM	PMID11714875	PDSP
Ki	2.0 nM	PMID15947036	BindingDB

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