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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	SCHEMBL739957
Molecular formula	C48H50N6O7
IUPAC name	[1-[3-[5-[[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]phenyl]carbamoyl]-N,2-dimethylanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
Molecular weight	822.963
Hydrogen bond acceptor	9
Hydrogen bond donor	6
XlogP	5.2
Synonyms	US8551978, I-26 CHEMBL3645292 US8816088, I-26 BDBM103757
Inchi Key	AASAEQLTIUBPQN-QLKFWGTOSA-N
Inchi ID	InChI=1S/C48H50N6O7/c1-31-12-15-34(47(59)50-35-16-13-32(14-17-35)29-49-30-43(56)38-18-20-42(55)46-39(38)19-21-44(57)52-46)28-41(31)53(2)45(58)24-27-54-25-22-36(23-26-54)61-48(60)51-40-11-7-6-10-37(40)33-8-4-3-5-9-33/h3-21,28,36,43,49,55-56H,22-27,29-30H2,1-2H3,(H,50,59)(H,51,60)(H,52,57)/t43-/m0/s1
PubChem CID	59548051
ChEMBL	CHEMBL3645292
IUPHAR	N/A
BindingDB	103757
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.2 nM	N/A	BindingDB
Ki	0.2 nM	, None	BindingDB,ChEMBL

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