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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL236475
Molecular formula	C22H25ClN2O2
IUPAC name	1-[2-(4-chlorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine
Molecular weight	384.904
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.8
Synonyms	BDBM50217566 SCHEMBL2887495 (2-(4-chlorophenoxy)-5-(4-morpholinobut-1-ynyl)phenyl)-N-methylmethanamine
Inchi Key	AGFIIERRTNLUMS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25ClN2O2/c1-24-17-19-16-18(4-2-3-11-25-12-14-26-15-13-25)5-10-22(19)27-21-8-6-20(23)7-9-21/h5-10,16,24H,3,11-15,17H2,1H3
PubChem CID	24964160
ChEMBL	CHEMBL236475
IUPHAR	N/A
BindingDB	50217566
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	10.72 nM	PMID17616397	ChEMBL
Ki	7.0 nM	PMID17616397	PDSP,BindingDB,ChEMBL

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