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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	CHEMBL240116
Molecular formula	C33H40N4O
IUPAC name	1-[[4-(3-cyanophenyl)phenyl]methyl]-1-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethyl]-3-propan-2-ylurea
Molecular weight	508.71
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.2
Synonyms	BDBM50209702 1-(3''-cyano-4-biphenylmethyl)-3-isopropyl-1-{2-[1-(4-methylbenzyl)-4-piperidinyl]ethyl}urea
Inchi Key	AKAAKXSPGNFTCK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H40N4O/c1-25(2)35-33(38)37(24-29-11-13-31(14-12-29)32-6-4-5-30(21-32)22-34)20-17-27-15-18-36(19-16-27)23-28-9-7-26(3)8-10-28/h4-14,21,25,27H,15-20,23-24H2,1-3H3,(H,35,38)
PubChem CID	44437519
ChEMBL	CHEMBL240116
IUPHAR	N/A
BindingDB	50209702
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	853.0 nM	PMID20932767	BindingDB,ChEMBL

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