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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	CHEMBL301176
Molecular formula	C15H15N3O2S
IUPAC name	N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide
Molecular weight	301.364
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.3
Synonyms	2-Naphthalenesulfonamide, N-[2-(1H-imidazol-4-yl)ethyl]- CTK0A0628 AKOS014565475 N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide (2-imidazol-4-ylethyl)(2-naphthylsulfonyl)amine ZINC6161461 DTXSID80400827 AKOS024371441 N-[2-(4-Imidazolyl)ethyl]naphthalene-2-sulfonamide 195052-62-1 AC1N5UWB MCULE-3989118229 BDBM50215548 ST51008084 [ Show all ]
Inchi Key	BNPIVLDNPJIRGR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H15N3O2S/c19-21(20,18-8-7-14-10-16-11-17-14)15-6-5-12-3-1-2-4-13(12)9-15/h1-6,9-11,18H,7-8H2,(H,16,17)
PubChem CID	4205028
ChEMBL	CHEMBL301176
IUPHAR	N/A
BindingDB	50215548
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	14.0 nM	PMID10406649	BindingDB
Ki	14.13 nM	PMID10406649	ChEMBL
Ki	16.98 nM	PMID10406649	ChEMBL
Ki	17.0 nM	PMID10406649	BindingDB
pKB	6.7 -	PMID10406649	ChEMBL

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