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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 M2
Species	Homo sapiens (Human)
Gene	CHRM2
Synonym	cholinergic receptor AChR M2 M2 muscarinic acetylcholine receptor M2 receptor Chrm-2 cholinergic receptor, muscarinic 2, cardiac cholinergic receptor, muscarinic 2 [ Show all ]
Disease	Urinary incontinence Heart failure Nausea; Addiction Parkinson's disease Peptic ulcer Stabilize muscle contractions Unspecified Cardiovascular disorder Asthma Alzheimer disease [ Show all ]
Length	466
Amino acid sequence	MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQDPVSPSLVQGRIVKPNNNNMPSSDDGLEHNKIQNGKAPRDPVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDENSKQTCIRIGTKTPKSDSCTPTNTTVEVVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
UniProt	P08172
Protein Data Bank	5zkc, 4mqs, 4mqt, 5yc8, 5zk3, 5zkb, 5zk8
GPCR-HGmod model	P08172
3D structure model	This structure is from PDB ID 5zkc.
BioLiP	BL0433341, BL0433216, BL0263147, BL0263146, BL0263145, BL0433339, BL0433340, BL0433338
Therapeutic Target Database	T46185
ChEMBL	CHEMBL211
IUPHAR	14
DrugBank	BE0000560

Ligand

Name	CHEMBL1459098
Molecular formula	C23H17FN2O2
IUPAC name	1-(4-fluorobenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
Molecular weight	372.399
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.6
Synonyms	Bionet1_002747 MolPort-002-563-236 327979-63-5 AB00106294-01 HMS2800F10 SMR000427625 1-(4-Fluoro-benzoyl)-9b-phenyl-1,2,3,9b-tetrahydro-imidazo[2,1-a]isoindol-5-one AKOS016340004 MCULE-6596610047 VU0352221-3 1-(4-fluorobenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one 3M-501S Oprea1_169815 AC1NQ3O1 HMS576F09 STK837602 1-(4-fluorobenzoyl)-9b-phenyl-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one BDBM50445225 MLS001049253 1-[(4-fluorophenyl)carbonyl]-9b-phenyl-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one SCHEMBL1247416 AKOS001026583 KS-0000365U VU0352221-2 1-(4-fluorobenzoyl)-9b-phenyl-1H,2H,3H,5H,9bH-imidazo[2,1-a]isoindol-5-one [ Show all ]
Inchi Key	CCNNNCNYEOXXMF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H17FN2O2/c24-18-12-10-16(11-13-18)21(27)25-14-15-26-22(28)19-8-4-5-9-20(19)23(25,26)17-6-2-1-3-7-17/h1-13H,14-15H2
PubChem CID	5189681
ChEMBL	CHEMBL1459098
IUPHAR	N/A
BindingDB	50445225
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<30000.0 nM	PMID24164599	ChEMBL

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