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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	Rattus norvegicus (Rat)
Gene	Hrh3
Synonym	GPCR97 H3 receptor H3R HH3R
Disease	N/A for non-human GPCRs
Length	445
Amino acid sequence	MERAPPDGLMNASGTLAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCASSVFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMALVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGGREAGPEPPPDAQPSPPPAPPSCWGCWPKGHGEAMPLHRYGVGEAGPGVEAGEAALGGGSGGGAAASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSITQRFRLSRDKKVAKSLAIIVSIFGLCWAPYTLLMIIRAACHGRCIPDYWYETSFWLLWANSAVNPVLYPLCHYSFRRAFTKLLCPQKLKVQPHGSLEQCWK
UniProt	Q9QYN8
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4124
IUPHAR	264
DrugBank	N/A

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	CTK4A0786 LS-171808 NCGC00024754-03 {[2-(1H-imidazol-5-yl)ethyl]sulfanyl}methanimidamide C17931 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 D02RAN NCGC00015536-01 S-(2-(4-Imidazolyl)ethyl)isothiourea 677MJ4VPZC C6H10N4S CCG-204732 NCGC00015536-04 Tocris-0729 ACMC-20m57g CHEMBL19439 Lopac0_000645 NCGC00024754-02 {[2-(1H-imidazol-4-yl)ethyl]sulfanyl}methanimidamide 2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide BDBM22911 DTXSID8043737 NCGC00015536-02 S-[2-(4-imidazolyl)ethyl]isothiourea AC1L1GI2 Carbamimidothioic acid, 2-(1H-imidazol-4-yl)ethyl ester CHEBI:64156 L000309 NCGC00015536-05 UNII-677MJ4VPZC 2-(1H-Imidazol-4-yl)ethyl carbamimidothioate AKOS006273468 [ 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
EC50	1.0 mg kg-1	PMID12190321	ChEMBL
EC50	1.0 nM	PMID10514298,	BindingDB,ChEMBL
EC50	2.8 mg kg-1	PMID12190321	ChEMBL
EC50	2.8 nM	PMID10514298	BindingDB,ChEMBL
Ki	0.199526 - 1.0 nM	PMID10869375, PMID11162480, PMID12393057	IUPHAR
pD2	8.1 -	PMID10197963	ChEMBL

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