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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL1086514
Molecular formula	C27H27N3O
IUPAC name	1-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]phenyl]pyridin-4-one
Molecular weight	409.533
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	5.0
Synonyms	1-(4-{6-[2-((2R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-quinolin-2-yl}-phenyl)-1H-pyridin-4-one BDBM50319538 (R)-1-(4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)phenyl)pyridin-4(1H)-one SCHEMBL1575300 1-(4-[6-{2-((2R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-quinolin-2-yl}-phenyl)-1H-pyridin-4-one AFPODXVEPNVDCE-HXUWFJFHSA-N [ Show all ]
Inchi Key	AFPODXVEPNVDCE-HXUWFJFHSA-N
Inchi ID	InChI=1S/C27H27N3O/c1-20-3-2-15-29(20)16-12-21-4-10-27-23(19-21)7-11-26(28-27)22-5-8-24(9-6-22)30-17-13-25(31)14-18-30/h4-11,13-14,17-20H,2-3,12,15-16H2,1H3/t20-/m1/s1
PubChem CID	11531634
ChEMBL	CHEMBL1086514
IUPHAR	N/A
BindingDB	50319538
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	0.3 nM	PMID20457525	BindingDB,ChEMBL

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