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GLASS

You can:

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	Cavia porcellus (Guinea pig)
Gene	HRH3
Synonym	H3R HH3R
Disease	N/A for non-human GPCRs
Length	445
Amino acid sequence	MERAPPDGLMNASGALAGEAAAAAGGARTFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGVFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSVFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMVLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGGAREAGPDPLPEAQSSPPQPPPGCWGCWPKGQGESMPLHRYGVGEAGPGAEAGEAALGGGSGAAASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSITQRFRLSRDKKVAKSLAIIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHYSFRRAFTKLLCPQKLKVQPHSSLEHCWK
UniProt	Q9JI35
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	CHEMBL5076
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL53056
Molecular formula	C12H15N3O2S
IUPAC name	N-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide
Molecular weight	265.331
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.0
Synonyms	(2-imidazol-4-ylethyl)[benzylsulfonyl]amine MCULE-9805326070 AKOS014565471 ST51008083 N-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide AKOS024371440 ZINC6622717 AC1NEUTW N-[2-(4-Imidazolyl)ethyl]phenylmethanesulfonamide BDBM50215540 [ Show all ]
Inchi Key	CXTVOCBOZDKVHS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H15N3O2S/c16-18(17,9-11-4-2-1-3-5-11)15-7-6-12-8-13-10-14-12/h1-5,8,10,15H,6-7,9H2,(H,13,14)
PubChem CID	4598386
ChEMBL	CHEMBL53056
IUPHAR	N/A
BindingDB	50215540
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	1862.0 nM	PMID10406649	BindingDB
Ki	1862.09 nM	PMID10406649	ChEMBL
Ki	2884.0 nM	PMID10406649	BindingDB
Ki	2884.03 nM	PMID10406649	ChEMBL
pKB	>5.0 -	PMID10406649	ChEMBL

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