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GLASS

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GPCR

Name	Histamine H3 receptor
Species	Homo sapiens (Human)
Gene	HRH3
Synonym	HH3R H3R H3 receptor GPCR97 G-protein coupled receptor 97
Disease	Obese insulin-resistant disorders Excessive daytime sleepiness Sleep disorders Schizophrenia Pain Obesity Metabolic disorders Mild to moderate alzheimer disease; Dementia Narcolepsy Neurological disease Eating disorder; Epilepsy; Pain Diabetic neuropathy; Musculoskeletal pain Dementia Alcohol use disorders Allergic rhinitis Alzheimer disease Alzheimer disease; Schizophrenia Anxiety disorder Attention deficit hyperactivity disorder Central nervous system disease Cognitive disorders [ Show all ]
Length	445
Amino acid sequence	MERAPPDGPLNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMLLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGAREAAGPEPPPEAQPSPPPPPGCWGCWQKGHGEAMPLHRYGVGEAAVGAEAGEATLGGGGGGGSVASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSFTQRFRLSRDRKVAKSLAVIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHHSFRRAFTKLLCPQKLKIQPHSSLEHCWK
UniProt	Q9Y5N1
Protein Data Bank	N/A
GPCR-HGmod model	Q9Y5N1
3D structure model	This predicted structure model is from GPCR-EXP Q9Y5N1.
BioLiP	N/A
Therapeutic Target Database	T64765
ChEMBL	CHEMBL264
IUPHAR	264
DrugBank	BE0000968

Ligand

Name	CHEMBL2436625
Molecular formula	C28H38FN5O2
IUPAC name	[1-[(2-aminopyridin-4-yl)methyl]-4-fluoropiperidin-4-yl]-[4-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)piperidin-1-yl]methanone
Molecular weight	495.643
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.0
Synonyms	BDBM50441506 SCHEMBL12549790
Inchi Key	BMWUIIPULBWCPO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H38FN5O2/c1-36-25-5-4-23-20-34(12-2-3-22(23)18-25)24-7-13-33(14-8-24)27(35)28(29)9-15-32(16-10-28)19-21-6-11-31-26(30)17-21/h4-6,11,17-18,24H,2-3,7-10,12-16,19-20H2,1H3,(H2,30,31)
PubChem CID	44622341
ChEMBL	CHEMBL2436625
IUPHAR	N/A
BindingDB	50441506
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	1.0 nM	PMID24035485	ChEMBL

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