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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	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	CHEMBL3805361
Molecular formula	C19H24N6S
IUPAC name	1-cyano-2-[[(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methyl]-3-(2-phenylsulfanylethyl)guanidine
Molecular weight	368.503
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	2.8
Synonyms	BDBM50170126 J3.639.707A 1-[[(1S,3S)-3-(1H-Imidazole-4-yl)cyclopentane-1-yl]methyl]-2-cyano-3-[2-(phenylthio)ethyl]guanidine
Inchi Key	MMZLYDNVAYWZLR-HOTGVXAUSA-N
Inchi ID	InChI=1S/C19H24N6S/c20-13-24-19(22-8-9-26-17-4-2-1-3-5-17)23-11-15-6-7-16(10-15)18-12-21-14-25-18/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24)/t15-,16-/m0/s1
PubChem CID	127052293
ChEMBL	CHEMBL3805361
IUPHAR	N/A
BindingDB	50170126
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Intrinsic activity	-0.4 -	PMID27007611	ChEMBL
Intrinsic activity	0.0 -	PMID27007611	ChEMBL
Kb	246.0 nM	PMID27007611	ChEMBL
Kb	1150.0 nM	PMID27007611	ChEMBL
Ki	1230.0 nM	PMID27007611	BindingDB,ChEMBL
Ki	2130.0 nM	PMID27007611	BindingDB,ChEMBL

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