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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	CHEMBL392013
Molecular formula	C36H47N3O4
IUPAC name	[2-[[[4-(2-methoxyphenyl)phenyl]methyl-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethyl]carbamoyl]amino]-2-methylpropyl] acetate
Molecular weight	585.789
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	6.1
Synonyms	BDBM50209689 3-[1-(acetyloxymethyl)-1-methylethyl]-1-(2''-methoxy-4-biphenylmethyl)-1-{2-[1-(4-methylbenzyl)-4-piperidinyl]ethyl}urea
Inchi Key	AMKLSCYIZASEGV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H47N3O4/c1-27-10-12-30(13-11-27)24-38-21-18-29(19-22-38)20-23-39(35(41)37-36(3,4)26-43-28(2)40)25-31-14-16-32(17-15-31)33-8-6-7-9-34(33)42-5/h6-17,29H,18-26H2,1-5H3,(H,37,41)
PubChem CID	44437524
ChEMBL	CHEMBL392013
IUPHAR	N/A
BindingDB	50209689
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1050.0 nM	PMID20932767	BindingDB,ChEMBL

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