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GLASS

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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	Iodoproxyfan
Molecular formula	C13H15IN2O
IUPAC name	5-[3-[(4-iodophenyl)methoxy]propyl]-1H-imidazole
Molecular weight	342.18
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.7
Synonyms	CHEMBL19010 SCHEMBL3089477 5-[3-[(4-iodophenyl)methoxy]propyl]-1H-imidazole GTPL1253 BDBM22916 PDSP1_000544 152028-96-1 D08BSG ZINC5117186 3-(1H-Imidazol-4-yl)propyl-(4-iodophenyl)methyl ether 5-{3-[(4-iodophenyl)methoxy]propyl}-1H-imidazole (125I)Iodoproxyfan PDSP2_000542 1H-Imidazole, 4-(3-((4-iodophenyl)methoxy)propyl)- DTXSID30164942 4-[3-[(4-iodophenyl)methoxy]propyl]-3H-imidazole AC1L31V0 L010934 [ Show all ]
Inchi Key	DCQNAFOCXVCDLB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
PubChem CID	132937
ChEMBL	CHEMBL19010
IUPHAR	1253
BindingDB	22916
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.05012 nM	PMID21044842	ChEMBL
Intrinsic activity	1.0 -	PMID21044842	ChEMBL
Ki	0.1 nM	PMID12393057	IUPHAR
Ki	0.63 nM	PMID15947036	BindingDB
Ki	0.631 nM	PMID21044842, PMID22003888	BindingDB,ChEMBL
Ki	41.0 nM	PMID11294398	BindingDB,ChEMBL
Ratio	0.5 -	PMID11294398	ChEMBL

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