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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	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	Tocris-0752 AC1Q3NI0 Carbamimidothioic acid,N-[(4-chlorophenyl)methyl]-, 3-(1H-imidazol-5-yl)propyl ester DTXSID3043738 MLS001424295 PDSP2_000535 SAM001247107 Vuf-9153 3-(1H-imidazol-4-yl)propyl N-(4-chlorobenzyl)carbamimidothioate BDBM50214615 HMS3394B07 N'-[(4-chlorophenyl)methyl]-1-[3-(3H-imidazol-4-yl)propylsulfanyl]methanimidamide SCHEMBL8312286 C17934 CPD000469632 L010032 NCGC00024770-02 UNII-RKU631JF4H 3-(1H-imidazol-4-yl)propyl ((4-chlorophenyl)methyl)carbamimidothioate AKOS025405026 CCG-101167 GTPL1223 MolPort-009-019-361 RKU631JF4H SCHEMBL19733457 VUF9153 3-(1h-imidazol-5-yl)propyl n'-(4-chlorobenzyl)carbamimidothioate BRD-K71430621-303-01-5 CHEMBL14690 KS-0000002Y NC00417 SMR000469632 145231-45-4 AC1L1EH2 Carbamimidothioic acid, ((4-chlorophenyl)methyl)-, 3-(1H-imidazol-4-yl)propyl ester D0T8OD LS-173240 PDSP1_000537 Vuf 9153 3-(1H-imidazol-4-yl)propyl 4-chlorobenzylcarbamimidothioate BDBM22541 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 SCHEMBL49050 ZINC1538319 3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate C14H17ClN4S L000192 NCGC00024770-01 [ 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
Ki	0.158489 nM	N/A	BindingDB
Ki	0.158489 - 1.25893 nM	PMID12606603, PMID10869375, PMID11714875, PMID11162480, PMID11090094, PMID12393057	IUPHAR
Ki	0.1585 nM	Bioorg. Med. Chem. Lett., (1996) 6:7:833	ChEMBL
Ki	0.18 nM	, PMID9871722	BindingDB
Ki	0.18 nM	Bioorg. Med. Chem. Lett., (1997) 7:23:3017, PMID9871722	ChEMBL
Ki	0.2512 nM	PMID11356102	ChEMBL
Ki	0.6 nM	PMID10052966, PMID11055360, PMID11052804, PMID8676353, PMID9873477, PMID9767653	BindingDB,ChEMBL
Ki	0.6 nM	PMID11055360, PMID9873477	BindingDB
Ki	0.6 nM	PMID9767653	BindingDB
Ki	0.630957 nM	N/A	BindingDB
Ki	0.631 nM	Bioorg. Med. Chem. Lett., (1996) 6:16:2013	ChEMBL
Ki	1.4 nM	PMID11294398	BindingDB,ChEMBL
Ki	6.30957e+17 nM	PMID10197963	ChEMBL
Ki	1e+18 nM	PMID10197963	ChEMBL

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