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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	Mus musculus (Mouse)
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	MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P12657
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	CHEMBL3733
IUPHAR	13
DrugBank	N/A

Ligand

Name	CHEMBL321808
Molecular formula	C14H19N5O3S
IUPAC name	N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-nitropyridazin-3-amine
Molecular weight	337.398
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	1.7
Synonyms	N-(2-(((5-((Dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4-nitro-3-pyridazinamine SCHEMBL909238 3-((2-(((5-((Dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-4-nitropyridazine JWS-USC-75IX AC1O4Q1O N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4-nitropyridazin-3-amine [2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-(4-nitro-pyridazin-3-yl)-amine 3-Pyridazinamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4-nitro- LS-129495 BDBM50004659 N-[2-[[5-[(Dimethylamino)methyl]-2-furylmethyl]thio]ethyl]-4-nitro-3-pyridazinamine 142744-34-1 DTXSID10162163 [ Show all ]
Inchi Key	YSANROTYHBNTDV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H19N5O3S/c1-18(2)9-11-3-4-12(22-11)10-23-8-7-15-14-13(19(20)21)5-6-16-17-14/h3-6H,7-10H2,1-2H3,(H,15,17)
PubChem CID	6410685
ChEMBL	CHEMBL321808
IUPHAR	N/A
BindingDB	50004659
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	970.0 nM	PMID1507203	BindingDB,ChEMBL

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