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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.
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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	Thiogamma (S)-(-)-alpha -Lipoic acid, >=97% (HPLC) (S)-lipoic acid 5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid AKOS016842424 L-6,8-thioctic acid s-(-)-alpha-lipoic acid UNII-J2Y905FQ57 (+)-1,2-Dithiolane-3-valeric Acid (S)-(-)-\|A-Lipoic Acid 1,2-Dithiolane-3-pentanoic acid, (3S)- 62-46-4 AS-35195 FT-0658236 Lipoec SCHEMBL2128472 TC-133635 (3S)-1,2-Dithiolane-3-pentanoic Acid (S)-a-lipoic acid AGBQKNBQESQNJD-ZETCQYMHSA-N Byodinoral 300 KB-196423 NCGC00016032-01 Tiobec (s)-(-)-alpha-lipoic acid (S)-Thioctic Acid 5-[(3S)-3-dithiolanyl]pentanoic acid AN-7040 CHEMBL1234071 L-6-thioctic acid S-LA ZINC1532729 (-)-Thioctic Acid (S)-1,2-Dithiolane-3-pentanoic acid 1,2-Dithiolane-3-pentanoic acid, (S)- A801750 AX8017470 J2Y905FQ57 Lopac-T-5625 SLA Thioctic acid l-form (R)-(+)-\|A-Lipoic Acid (S)-alpha-Lipoic Acid 127254-35-7 AJ-26805 CHEBI:43796 L-1,2-dithiolane 3-valeric acid PubChem6068 UNII-73Y7P0K73Y component AGBQKNBQESQNJD-ZETCQYMHSA-N (S)-(-)-lipoic acid 077L276 5-[(3S)-dithiolan-3-yl]pentanoic acid ANW-44890 CTK0H9520 L-Thioctic acid S-Lipoate ST2402837 (3R)-1,2-Dithiolane-3-pentanoic Acid (S)-5-(1,2-Dithiolan-3-yl)pentanoic acid 1,2-Dithiolane-3-pentanoicacid, (3S)- AC1L9HGU BR-72935 KB-05524 MolPort-003-848-397 [ 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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