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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	Mus musculus (Mouse)
Gene	Hrh3
Synonym	GPCR97 H3 receptor H3R HH3R
Disease	N/A for non-human GPCRs
Length	445
Amino acid sequence	MERAPPDGLMNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCASSVFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMALVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGGREAGPEPPPDAQPSPPPAPPSCWGCWPKGHGEAMPLHRYGVGEAGPGVETGEAGLGGGSGGGAAASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSITQRFRLSRDKKVAKSLAIIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHYSFRRAFTKLLCPQKLKVQPHGSLEQCWK
UniProt	P58406
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	CHEMBL3263
IUPHAR	264
DrugBank	N/A

Ligand

Name	clobenpropit
Molecular formula	C14H17ClN4S
IUPAC name	3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate
Molecular weight	308.828
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.0
Synonyms	CHEMBL14690 KS-0000002Y NC00417 SCHEMBL19733457 VUF9153 3-(1h-imidazol-5-yl)propyl n'-(4-chlorobenzyl)carbamimidothioate BRD-K71430621-303-01-5 Carbamimidothioic acid, ((4-chlorophenyl)methyl)-, 3-(1H-imidazol-4-yl)propyl ester D0T8OD LS-173240 PDSP1_000537 SMR000469632 145231-45-4 AC1L1EH2 CHEBI:64177 HMS2052B07 N''''-[(4-chlorophenyl)methyl]{[3-(1H-imidazol-5-yl)propyl]sulfanyl}methanimidamide S-(3-(4(5)-Imidazolyl))propyl-N-(4-chlorobenzyl)isothiourea Vuf 9153 3-(1H-imidazol-4-yl)propyl 4-chlorobenzylcarbamimidothioate BDBM22541 L000192 NCGC00024770-01 SCHEMBL49050 ZINC1538319 3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate C14H17ClN4S Carbamimidothioic acid,N-[(4-chlorophenyl)methyl]-, 3-(1H-imidazol-5-yl)propyl ester DTXSID3043738 MLS001424295 PDSP2_000535 Tocris-0752 AC1Q3NI0 HMS3394B07 N'-[(4-chlorophenyl)methyl]-1-[3-(3H-imidazol-4-yl)propylsulfanyl]methanimidamide SAM001247107 Vuf-9153 3-(1H-imidazol-4-yl)propyl N-(4-chlorobenzyl)carbamimidothioate BDBM50214615 C17934 CPD000469632 L010032 NCGC00024770-02 SCHEMBL8312286 CCG-101167 GTPL1223 MolPort-009-019-361 RKU631JF4H UNII-RKU631JF4H 3-(1H-imidazol-4-yl)propyl ((4-chlorophenyl)methyl)carbamimidothioate AKOS025405026 [ Show all ]
Inchi Key	UCAIEVHKDLMIFL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
PubChem CID	2790
ChEMBL	CHEMBL14690
IUPHAR	1223
BindingDB	22541, 50214615
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	1.7 nM	PMID19553110	BindingDB,ChEMBL
ED50	25.0 mg.kg-1	PMID11055360	ChEMBL
ED50	26.0 mg.kg-1	PMID10052966, Bioorg. Med. Chem. Lett., (1996) 6:16:2013, PMID12672253, PMID11052804, PMID8676353, PMID9873477, PMID9767653	ChEMBL
IC50	1.0 nM	PMID20833043	BindingDB,ChEMBL
Inhibition	14.0 %	PMID19553110	ChEMBL
Ki	0.316228 nM	PMID12706455	IUPHAR
Ki	0.6 nM	PMID19553110	BindingDB,ChEMBL

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