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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 M1
Species	Rattus norvegicus (Rat)
Gene	Chrm1
Synonym	cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS cholinergic receptor M1 muscarinic acetylcholine receptor M1 receptor M1R Chrm-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	460
Amino acid sequence	MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDSEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P08482
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL276
IUPHAR	13
DrugBank	N/A

Ligand

Name	beta-Narcotine
Molecular formula	C22H23NO7
IUPAC name	(3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
Molecular weight	413.426
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	2.7
Synonyms	BRD-K91301684-003-02-2 CHEMBL1403892 KBio3_001613 LS-97535 NCGC00016388-01 SBI-0206692.P002 Spectrum_001069 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (S-(R,S))- 8-Methoxyhydrastin C22H23NO7 EINECS 204-899-2 L-alpha-2-Methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinaline NARCOTINE NCGC00017174-02 SPBio_001053 TNP00110 (-)-3-(2-Methyl-6,7-methylendioxy-8-methoxy-1-isochinolyl)-6,7-dimethoxyphthalid AKOS021650200 CHEBI:93592 KBio2_004117 Longactin NCGC00015757-03 Noscapinum [INN-Latin] Spectrum4_000456 (3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one 3860-46-6 BRN 0099933 Coscopin (VAN) KBioGR_000872 MCULE-4671292218 NCGC00016388-03 SCHEMBL7862895 ST055757 AB00053507_10 CAS-128-62-1 HSDB 3372 L-alpha-Noscapine NCGC00015757-01 Noscapina [INN-Spanish] Spectrum2_000987 ZINC19418976 (-)-alpha-Norcotine KBio2_006685 Lopac-N-9007 NCGC00015757-06 Noskapin Spectrum5_001276 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R-(R,R))- 5-(6,7-Dimethoxyphthalidyl)-5,6,7,8-tetrahydro-4-methoxy-8-methyl-1,3-dioxolo(4,5-g)isoquinoline BSPBio_002113 DTXSID70191919 KBioSS_001549 MolPort-000-720-123 NCGC00017174-01 SDCCGMLS-0066644.P001 TNP00034 AC1L1LK8 CCG-36462 KBio2_001549 L-beta-Narcotine NCGC00015757-02 Noscapine [INN:BAN:JAN] Spectrum3_000527 (3R)-3-((5R)-4-methoxy-6-methyl(5,6,7,8-tetrahydro-2H-1,3-dioxoleno[4,5-g]isoq uinolin-5-yl))-6,7-dimethoxy-3-hydroisobenzofuran-1-one [ Show all ]
Inchi Key	AKNNEGZIBPJZJG-QZTJIDSGSA-N
Inchi ID	InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18-/m1/s1
PubChem CID	31411
ChEMBL	CHEMBL1403892
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	125.9 nM	PubChem BioAssay data set	ChEMBL

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