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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	CHEMBL161565
Molecular formula	C29H36FN5O4
IUPAC name	N-[(2R)-1-[4-[3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbutanamide
Molecular weight	537.636
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.2
Synonyms	BDBM50139341 N-[(R)-2-(4-{3-[3-Fluoro-4-(5-phenyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-3-methyl-butyramide SCHEMBL7251143
Inchi Key	ARDDCPMFWUUFHR-OAQYLSRUSA-N
Inchi ID	InChI=1S/C29H36FN5O4/c1-20(2)18-26(36)31-21(3)29(37)35-15-13-34(14-16-35)12-7-17-38-23-10-11-24(25(30)19-23)27-32-28(39-33-27)22-8-5-4-6-9-22/h4-6,8-11,19-21H,7,12-18H2,1-3H3,(H,31,36)/t21-/m1/s1
PubChem CID	44373941
ChEMBL	CHEMBL161565
IUPHAR	N/A
BindingDB	50139341
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	56.0 nM	PMID14741266	BindingDB,ChEMBL

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