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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	JNJ-7777120
Molecular formula	C14H16ClN3O
IUPAC name	(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
Molecular weight	277.752
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.3
Synonyms	(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone 459168-41-3 BCP06355 ES-0048 J-521699 METHANONE, (5-CHLORO-1H-INDOL-2-YL)(4-METHYL-1-PIPERAZINYL)- s2905 [3H]JNJ 7777120 (5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone 1-[(5-chloro-1H-indol-2-yl)carbonyl]-4-methylpiperazine AB00815151-06 CHEMBL129198 GTPL1278 JNJ7777120 NCGC00165814-01 STK175446 (5-Chloro-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-metha none AOB33758 D06IFH HUQJRYMLJBBEDO-UHFFFAOYSA-N LS-192017 RL03714 ZINC19868747 1-((5-chloro-1H-indol-2-yl)carbonyl)-4-methylpiperazine 4H1AU2V37X BDBM22566 EX-A2082 JNJ 7777120 MFCD04343337 SB19527 (5-chloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone AC1NK6AJ CS-4964 GTPL1279 JNJ7777120, >=98% (HPLC) NCGC00165814-02 SW219424-1 (5-Chloro-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-methanone 2490AH BC252565 D0E9SR HY-13508 MCULE-4664243664 RT-013403 [3H]-JNJ7777120 1-[(5-CHLORO-1H-INDOL-2-YL)CARBONYL]-4-METHYL-PIPERAZINE 5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1h-indole FT-0747430 MolPort-002-651-947 SCHEMBL186434 (5-chloro-1H-indol-2-yl)(4-methylpiperazino)methanone AKOS005410426 CTK8E8457 HMS3651L08 KS-00000XLK NCGC00165814-04 UNII-4H1AU2V37X [ Show all ]
Inchi Key	HUQJRYMLJBBEDO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
PubChem CID	4908365
ChEMBL	CHEMBL129198
IUPHAR	1278, 1279
BindingDB	22566
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	1000.0 nM	PMID15454206	ChEMBL
Intrinsic activity	-0.7 -	PMID15454206	ChEMBL
Intrinsic activity	-0.56 -	PMID27007611	ChEMBL
Kb	2000.0 nM	PMID27007611	ChEMBL
Ki	<20000.0 nM	PMID22189138	BindingDB,ChEMBL
Ki	1995.26 nM	PMID15454206	ChEMBL
Ki	2238.72 nM	PMID18983139, PMID18811133	ChEMBL
Ki	2239.0 nM	PMID18983139, PMID18811133	BindingDB
Ki	5011.87 nM	PMID22003888	BindingDB,ChEMBL
Ki	5012.0 nM	PMID15947036	BindingDB
Ki	5125.0 nM	PMID16366610, PMID14722321	BindingDB,ChEMBL
Ki	15300.0 nM	PMID22189138	BindingDB,ChEMBL
pKb	5.7 -	PMID18811133	ChEMBL

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