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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	CHEMBL256202
Molecular formula	C18H28ClN3O
IUPAC name	N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]hexanamide
Molecular weight	337.892
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.9
Synonyms	AKOS003214187 N-[3-chloro-4-(4-ethyl-1-piperazinyl)phenyl]hexanamide SMR000077492 MLS000050295 BDBM50373835 N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]hexanamide HMS2461P17 ZINC2592963 AC1M17XR MolPort-002-273-274 REGID_for_CID_2066745 MCULE-1833722998 [ Show all ]
Inchi Key	YYYAVCKEQQNXIB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H28ClN3O/c1-3-5-6-7-18(23)20-15-8-9-17(16(19)14-15)22-12-10-21(4-2)11-13-22/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,23)
PubChem CID	2066745
ChEMBL	CHEMBL256202
IUPHAR	N/A
BindingDB	50373835
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	490.0 nM	PMID18178088	BindingDB,ChEMBL

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