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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 H4 receptor
Species	Homo sapiens (Human)
Gene	HRH4
Synonym	Pfi-013 SP9144 HH4R H4R H4 receptor GPRv53 GPCR105 G-protein coupled receptor 105 AXOR35 [ Show all ]
Disease	Allergic rhinitis Asthma Inflammatory disease Rheumatoid arthritis
Length	390
Amino acid sequence	MPDTNSTINLSLSTRVTLAFFMSLVAFAIMLGNALVILAFVVDKNLRHRSSYFFLNLAISDFFVGVISIPLYIPHTLFEWDFGKEICVFWLTTDYLLCTASVYNIVLISYDRYLSVSNAVSYRTQHTGVLKIVTLMVAVWVLAFLVNGPMILVSESWKDEGSECEPGFFSEWYILAITSFLEFVIPVILVAYFNMNIYWSLWKRDHLSRCQSHPGLTAVSSNICGHSFRGRLSSRRSLSASTEVPASFHSERQRRKSSLMFSSRTKMNSNTIASKMGSFSQSDSVALHQREHVELLRARRLAKSLAILLGVFAVCWAPYSLFTIVLSFYSSATGPKSVWYRIAFWLQWFNSFVNPLLYPLCHKRFQKAFLKIFCIKKQPLPSQHSRSVSS
UniProt	Q9H3N8
Protein Data Bank	N/A
GPCR-HGmod model	Q9H3N8
3D structure model	This predicted structure model is from GPCR-EXP Q9H3N8.
BioLiP	N/A
Therapeutic Target Database	T26500
ChEMBL	CHEMBL3759
IUPHAR	265
DrugBank	BE0000146

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	AC1Q3NI0 Carbamimidothioic acid,N-[(4-chlorophenyl)methyl]-, 3-(1H-imidazol-5-yl)propyl ester DTXSID3043738 MLS001424295 PDSP2_000535 Tocris-0752 3-(1H-imidazol-4-yl)propyl N-(4-chlorobenzyl)carbamimidothioate BDBM50214615 HMS3394B07 N'-[(4-chlorophenyl)methyl]-1-[3-(3H-imidazol-4-yl)propylsulfanyl]methanimidamide SAM001247107 Vuf-9153 C17934 CPD000469632 L010032 NCGC00024770-02 SCHEMBL8312286 3-(1H-imidazol-4-yl)propyl ((4-chlorophenyl)methyl)carbamimidothioate AKOS025405026 CCG-101167 GTPL1223 MolPort-009-019-361 RKU631JF4H UNII-RKU631JF4H 3-(1h-imidazol-5-yl)propyl n'-(4-chlorobenzyl)carbamimidothioate BRD-K71430621-303-01-5 CHEMBL14690 KS-0000002Y NC00417 SCHEMBL19733457 VUF9153 145231-45-4 AC1L1EH2 Carbamimidothioic acid, ((4-chlorophenyl)methyl)-, 3-(1H-imidazol-4-yl)propyl ester D0T8OD LS-173240 PDSP1_000537 SMR000469632 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 Vuf 9153 3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate C14H17ClN4S L000192 NCGC00024770-01 SCHEMBL49050 ZINC1538319 [ 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
Intrinsic activity	0.83 -	PMID19414267	ChEMBL
Ki	4.3 nM	PMID19846299, PMID21498080	BindingDB,ChEMBL
Ki	5.0 nM	PMID18459760	BindingDB,ChEMBL
Ki	5.01 - 39.8 nM	PMID12606603, PMID11179434, PMID11561071, PMID11181941, PMID15947036	IUPHAR
Ki	8.0 nM	PMID15947036	BindingDB
Ki	10.0 nM	PMID19414267, PMID22003888	BindingDB,ChEMBL
Ki	12.8 nM	PMID11179434	PDSP,BindingDB
Ki	41.6869 nM	PMID12606603	PDSP
Ki	41.69 nM	PMID12606603	BindingDB

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