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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	CHEMBL258281
Molecular formula	C16H24ClN3O
IUPAC name	N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]butanamide
Molecular weight	309.838
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.4
Synonyms	AC1LD9DJ MolPort-000-751-715 BAS 08836058 N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]butanamide AG-670/42683294 N-[3-chloro-4-(4-ethyl-1-piperazinyl)phenyl]butanamide BDBM50373840 STK132741 672935-54-5 MCULE-3953349217 AKOS000452683 N-[3-Chloro-4-(4-ethyl-piperazin-1-yl)-phenyl]-butyramide ZINC813635 [ Show all ]
Inchi Key	ULLDFBZUOXJYID-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H24ClN3O/c1-3-5-16(21)18-13-6-7-15(14(17)12-13)20-10-8-19(4-2)9-11-20/h6-7,12H,3-5,8-11H2,1-2H3,(H,18,21)
PubChem CID	644499
ChEMBL	CHEMBL258281
IUPHAR	N/A
BindingDB	50373840
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	<150000.0 nM	PMID18178088	BindingDB,ChEMBL

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