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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	CHEMBL159281
Molecular formula	C23H25N3O
IUPAC name	4-[2-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile
Molecular weight	359.473
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.2
Synonyms	4-(2-{2-[(3S)-3-(dimethylamino)pyrrolidinyl]ethyl}-1-benzofuran-5-yl)benzonitrile ARDRZCADVURIHZ-NRFANRHFSA-N 4-{2-[2-((S)-3-Dimethylamino-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-benzonitrile BDBM50139401 SCHEMBL2785198
Inchi Key	ARDRZCADVURIHZ-NRFANRHFSA-N
Inchi ID	InChI=1S/C23H25N3O/c1-25(2)21-9-11-26(16-21)12-10-22-14-20-13-19(7-8-23(20)27-22)18-5-3-17(15-24)4-6-18/h3-8,13-14,21H,9-12,16H2,1-2H3/t21-/m0/s1
PubChem CID	10067030
ChEMBL	CHEMBL159281
IUPHAR	N/A
BindingDB	50139401
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	48.98 nM	PMID14741270	ChEMBL
Ki	49.0 nM	PMID14741270	BindingDB,ChEMBL

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