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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.
Go to the GPCR page and check other ligands which interact with it.
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	ciproxifan
Molecular formula	C16H18N2O2
IUPAC name	cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone
Molecular weight	270.332
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.5
Synonyms	5EVQ7IRG99 CHEBI:125467 cyclopropyl-(4-(3-1H-imidazol-4-yl)propyloxyphenyl)ketone FT-0707540 LS-186999 PDSP1_001280 ZINC1892860 AKOS005266665 Cyclopropylpyrrol4-[3-(1H-imidazol-4-yl)propoxy] phenylmorphomethanone FUB359 Methanone, cyclopropyl(4-(3-(1H-imidazol-5-yl)propoxy)phenyl)- SB19526 4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imidazole BDBM27213 CS-0664 EX-5964 KB-76104 NCGC00165775-02 UNII-5EVQ7IRG99 AC1O4Y0P cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone FUB 359 LS-187638 PDSP2_001264 184025-18-1 AKOS030526676 Ciproxifan (FUB-359) D0I3XA GTPL1265 MolPort-027-720-958 SC-26038 4CA-0550 BRD-K01767299-001-01-6 cyclopropyl 4-(3-(1H-imidazol-4-yl)propyloxy)phenyl ketone EX-A077 L000187 NCGC00165775-03 Y0363 (4-(3-(1H-imidazol-4-yl)propoxy)phenyl)(cyclopropyl)methanone ACQBHJXEAYTHCY-UHFFFAOYSA-N CHEMBL14638 cyclopropyl-[4-[3-(3H-imidazol-4-yl)propoxy]phenyl]methanone FUB-359 Methanone, cyclopropyl(4-(3-(1H-imidazol-4-yl)propoxy)phenyl)- S-7718 BCP04109 Ciproxifan; FUB 359 DTXSID50171532 HY-14567 NCGC00165775-01 SCHEMBL3335184 [ Show all ]
Inchi Key	ACQBHJXEAYTHCY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
PubChem CID	6422124
ChEMBL	CHEMBL14638
IUPHAR	1265
BindingDB	27213
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	46.0 nM	PMID12672253, PMID19846299, PMID21498080, PMID24900647, PMID11294398	BindingDB,ChEMBL
Ki	50.1187 - 199.526 nM	PMID12606603, PMID15294456, PMID11284713, PMID11090094, PMID12393057, PMID26084539	IUPHAR
Ki	62.5 nM	PMID15033391	BindingDB
Ki	63.0 nM	PMID22313227, PMID15634000, PMID18683917	BindingDB,ChEMBL
Ki	63.1 nM	PMID15634000, PMID18683917, PMID24161834	ChEMBL
Ki	63.1 nM	PMID15608078, PMID12606603	BindingDB
Ki	89.13 nM	PMID15608078, PMID12606603, PMID18683917	BindingDB,ChEMBL
Ki	89.4 nM	PMID15033391	BindingDB
Ki	94.0 nM	PMID15139761, PMID15634025	BindingDB,ChEMBL
pKb	6.59 -	PMID18683917	ChEMBL
pKb	6.84 -	PMID15634000, PMID18683917	ChEMBL
pKb	7.07 -	PMID18683917	ChEMBL
Ratio	12.0 -	PMID11294398	ChEMBL

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