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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	1077-27-6
Molecular formula	C8H14O2S2
IUPAC name	5-[(3S)-dithiolan-3-yl]pentanoic acid
Molecular weight	206.318
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.7
Synonyms	(S)-lipoic acid 5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid AKOS016842424 L-6,8-thioctic acid s-(-)-alpha-lipoic acid Thiogamma (S)-(-)-alpha -Lipoic acid, >=97% (HPLC) (S)-(-)-\|A-Lipoic Acid 1,2-Dithiolane-3-pentanoic acid, (3S)- 62-46-4 AS-35195 FT-0658236 Lipoec SCHEMBL2128472 UNII-J2Y905FQ57 (+)-1,2-Dithiolane-3-valeric Acid (S)-a-lipoic acid AGBQKNBQESQNJD-ZETCQYMHSA-N Byodinoral 300 KB-196423 NCGC00016032-01 TC-133635 (3S)-1,2-Dithiolane-3-pentanoic Acid (s)-(-)-alpha-lipoic acid (S)-Thioctic Acid 5-[(3S)-3-dithiolanyl]pentanoic acid AN-7040 CHEMBL1234071 L-6-thioctic acid S-LA Tiobec (S)-1,2-Dithiolane-3-pentanoic acid 1,2-Dithiolane-3-pentanoic acid, (S)- A801750 AX8017470 J2Y905FQ57 Lopac-T-5625 SLA ZINC1532729 (-)-Thioctic Acid (S)-alpha-Lipoic Acid 127254-35-7 AJ-26805 CHEBI:43796 L-1,2-dithiolane 3-valeric acid PubChem6068 Thioctic acid l-form (R)-(+)-\|A-Lipoic Acid (S)-(-)-lipoic acid 077L276 5-[(3S)-dithiolan-3-yl]pentanoic acid ANW-44890 CTK0H9520 L-Thioctic acid S-Lipoate UNII-73Y7P0K73Y component AGBQKNBQESQNJD-ZETCQYMHSA-N (S)-5-(1,2-Dithiolan-3-yl)pentanoic acid 1,2-Dithiolane-3-pentanoicacid, (3S)- AC1L9HGU BR-72935 KB-05524 MolPort-003-848-397 ST2402837 (3R)-1,2-Dithiolane-3-pentanoic Acid [ Show all ]
Inchi Key	AGBQKNBQESQNJD-ZETCQYMHSA-N
Inchi ID	InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1
PubChem CID	445125
ChEMBL	CHEMBL1234071
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	158.5 nM	PubChem BioAssay data set	ChEMBL

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