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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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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	CHEMBL1271276
Molecular formula	C21H28N4O2
IUPAC name	(4-cyclopropylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone
Molecular weight	368.481
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.3
Synonyms	BDBM50328938 SCHEMBL2222748 (4-cyclopropylpiperazin-1-yl)(3-(morpholinomethyl)-1H-indol-6-yl)methanone
Inchi Key	AHWJQRYTAKRHON-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H28N4O2/c26-21(25-7-5-24(6-8-25)18-2-3-18)16-1-4-19-17(14-22-20(19)13-16)15-23-9-11-27-12-10-23/h1,4,13-14,18,22H,2-3,5-12,15H2
PubChem CID	25061409
ChEMBL	CHEMBL1271276
IUPHAR	N/A
BindingDB	50328938
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	0.5012 nM	PMID20843691	ChEMBL
Ki	2.0 nM	PMID20843691	BindingDB,ChEMBL

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