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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	CHEMBL503605
Molecular formula	C13H14ClN3O
IUPAC name	(5-chloro-1H-indol-2-yl)-piperazin-1-ylmethanone
Molecular weight	263.725
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.8
Synonyms	AKOS016342960 ZINC32500347 (5-chloro-1H-indol-2-yl)(piperazino)methanone RNGVSSIIHLHHSN-UHFFFAOYSA-N BB 0247847 (5-Chloro-1H-indol-2-yl)-piperazin-1-yl-metha none SCHEMBL6130879 5-chloro-2-(piperazin-1-ylcarbonyl)-1H-indole BDBM26391 JNJ 7777120 analogue, 4 (5-Chloro-1H-indol-2-yl)-piperazin-1-yl-methanone [ Show all ]
Inchi Key	RNGVSSIIHLHHSN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H14ClN3O/c14-10-1-2-11-9(7-10)8-12(16-11)13(18)17-5-3-15-4-6-17/h1-2,7-8,15-16H,3-6H2
PubChem CID	21638785
ChEMBL	CHEMBL503605
IUPHAR	N/A
BindingDB	26391
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	12.59 nM	PMID22749391	BindingDB,ChEMBL
Ki	25.7 nM	PMID18817367	ChEMBL
Ki	26.0 nM	PMID18817367	BindingDB
pKb	7.74 -	PMID18817367	ChEMBL

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