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GLASS

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GPCR

Name	Muscarinic acetylcholine receptor M1
Species	Homo sapiens (Human)
Gene	CHRM1
Synonym	cholinergic receptor cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS Chrm-1 M1 receptor M1R M1 muscarinic acetylcholine receptor [ Show all ]
Disease	Functional bowel syndrome; Irritable bowel syndrome Glaucoma Peptic ulcer Parkinsonism; Extrapyramidal disorders secondary to neuroleptic drug therapy Visceral spasms Parkinson's disease; Dystonia Parkinson's disease Neurological disease Neuropathic pain Overactive bladder disorder Excessive sweating; Stomach ulcer Cognitive disorders Chronic obstructive pulmonary disease Schizophrenia Schizophrenia; Dementia Schizophrenia; Schizoaffective disorders Unspecified Urinary incontinence Anesthesia Alzheimer disease Abdominal stomach pain; Irritable bowel syndrome [ Show all ]
Length	460
Amino acid sequence	MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPRSSPNTVKRPTKKGRDRAGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P11229
Protein Data Bank	5cxv
GPCR-HGmod model	P11229
3D structure model	This structure is from PDB ID 5cxv.
BioLiP	BL0339262, BL0339261, BL0339263
Therapeutic Target Database	T28893
ChEMBL	CHEMBL216
IUPHAR	13
DrugBank	BE0000092

Ligand

Name	CHEMBL1084941
Molecular formula	C19H15N3O2
IUPAC name	1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-2,3-dione
Molecular weight	317.348
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.3
Synonyms	VU0365137 BDBM50313639 cid_44251554 1-(4-(1-methyl-1H-pyrazol-4-yl)benzyl)indoline-2,3-dione VU0365137-1 SCHEMBL17207999 [ Show all ]
Inchi Key	FZOKIVAOPLLMAV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15N3O2/c1-21-12-15(10-20-21)14-8-6-13(7-9-14)11-22-17-5-3-2-4-16(17)18(23)19(22)24/h2-10,12H,11H2,1H3
PubChem CID	44251554
ChEMBL	CHEMBL1084941
IUPHAR	N/A
BindingDB	50313639
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	80.0 %	PMID20156687	ChEMBL
EC50	2300.0 nM	PMID20156687	BindingDB,ChEMBL
FC	5.0 -	PMID20156687	ChEMBL
FC	14.0 -	PMID20156687	ChEMBL

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