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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Muscarinic acetylcholine receptor M3
Species	Homo sapiens (Human)
Gene	CHRM3
Synonym	cholinergic receptor cholinergic receptor, muscarinic 3 cholinergic receptor, muscarinic 3, cardiac Chrm-3 HM4 M3 receptor M3R [ Show all ]
Disease	Urinary incontinence Overactive bladder Overactive bladder disorder Postoperative nausea and vomiting Respiratory disease Glaucoma Diagnosing bronchial hyperreactivity Chronic obstructive pulmonary disease Seborrhea Sjogren's syndrome Spasms; Pain Unspecified Alzheimer disease Obstructive lung diseases [ Show all ]
Length	590
Amino acid sequence	MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL
UniProt	P20309
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T67684
ChEMBL	CHEMBL245
IUPHAR	15
DrugBank	BE0000045

Ligand

Name	1-(4-Bromobenzyl)indole-2,3-dione
Molecular formula	C15H10BrNO2
IUPAC name	1-[(4-bromophenyl)methyl]indole-2,3-dione
Molecular weight	316.154
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	2.8
Synonyms	EU-0067620 SR-01000395993-1 1-[(4-bromophenyl)methyl]indoline-2,3-dione AKOS000245456 MCULE-6184534031 VU 0119498 D0JV2S SCHEMBL5430888 VU0119498-2 1-[(4-bromophenyl)methyl]benzo[d]azolidine-2,3-dione AC1Q24VD GTPL7632 ST50892639 1H-Indole-2,3-dione, 1-[(4-bromophenyl)methyl]- BDBM50258439 MolPort-002-341-984 VU-0119498 1-(4-bromobenzyl)indoline-2,3-dione 79183-37-2 CHEMBL523685 EN300-70451 SR-01000395993 ZINC2454837 1-[(4-bromophenyl)methyl]indole-2,3-dione AH-034/08903023 K015-0020 STK215777 1-(4-bromobenzyl)-1H-indole-2,3-dione CCG-198352 NE20417 VU0119498 1-[(4-bromophenyl)methyl]-2,3-dihydro-1H-indole-2,3-dione AC1MHO09 cid_3008304 [ Show all ]
Inchi Key	DELLOEULSHGYCG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2
PubChem CID	3008304
ChEMBL	CHEMBL523685
IUPHAR	7632
BindingDB	50258439
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
%max	65.5 %	PMID19438238	ChEMBL
EC50	6380.0 nM	PMID19438238	BindingDB,IUPHAR,ChEMBL
EC50	6400.0 nM	PMID22148748, PMID20801651, PMID20004578	BindingDB,ChEMBL
Emax	66.0 %	PMID22148748	ChEMBL

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