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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	CHEMBL161202
Molecular formula	C29H36FN5O5
IUPAC name	N-[(2R)-1-[4-[3-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-3-fluorophenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
Molecular weight	553.635
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	4.4
Synonyms	BDBM50139279 Furan-2-carboxylic acid [(R)-2-(4-{3-[4-(5-cyclopentyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-[1,4]diazepan-1-yl)-1-methyl-2-oxo-ethyl]-amide 3-[2-Fluoro-4-[3-[4-[(R)-2-(2-furanylcarbonylamino)propionyl]hexahydro-1H-1,4-diazepine-1-yl]propoxy]phenyl]-5-cyclopentyl-1,2,4-oxadiazole SCHEMBL7248946
Inchi Key	AHOYJVPDAHEACX-HXUWFJFHSA-N
Inchi ID	InChI=1S/C29H36FN5O5/c1-20(31-27(36)25-9-4-17-39-25)29(37)35-14-5-12-34(15-16-35)13-6-18-38-22-10-11-23(24(30)19-22)26-32-28(40-33-26)21-7-2-3-8-21/h4,9-11,17,19-21H,2-3,5-8,12-16,18H2,1H3,(H,31,36)/t20-/m1/s1
PubChem CID	44374162
ChEMBL	CHEMBL161202
IUPHAR	N/A
BindingDB	50139279
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.86 nM	PMID14741266	ChEMBL
Ki	0.86 nM	PMID14741266	BindingDB

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