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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	CHEMBL161130
Molecular formula	C27H32N2O3
IUPAC name	[4-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
Molecular weight	432.564
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.6
Synonyms	4-(4-{2-[2-(2-methyl-1-piperidinyl)ethyl]-1-benzofuran-5-yl}benzoyl)morpholine AWAROEZGWJEDHM-UHFFFAOYSA-N 4-(4-{2-[2-(2-methyl1--piperidinyl)ethyl]-1-benzofuran-5-yl}benzoyl)morpholine BDBM50139402 (4-{2-[2-(2-Methyl-piperidin-1-yl)-ethyl]-benzofuran-5-yl}-phenyl)-morpholin-4-yl-methanone SCHEMBL2785692 [ Show all ]
Inchi Key	AWAROEZGWJEDHM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H32N2O3/c1-20-4-2-3-12-28(20)13-11-25-19-24-18-23(9-10-26(24)32-25)21-5-7-22(8-6-21)27(30)29-14-16-31-17-15-29/h5-10,18-20H,2-4,11-17H2,1H3
PubChem CID	11743550
ChEMBL	CHEMBL161130
IUPHAR	N/A
BindingDB	50139402
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	13.0 nM	PMID14741270	BindingDB
Ki	13.49 nM	PMID14741270	ChEMBL
Ki	14.0 nM	PMID14741270	BindingDB,ChEMBL

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