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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	Secoverine
Molecular formula	C22H35NO2
IUPAC name	1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one
Molecular weight	345.527
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.1
Synonyms	1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one DU 23849 Secoverina [INN-Spanish] 1-Butanone, 1-cyclohexyl-4-(ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)- NSC_42470 Secoverinum 1-Cyclohexyl-4-(ethyl-(1-(4-methoxyphenyl)-2-poropyl)amino)-1-butanon CAS_57558-44-8 SCHEMBL457590 57558-44-8 L001295 1-Cyclohexyl-4-(ethyl(p-methoxy-alpha-methylphenethyl)amino)-1-butanone AC1L27WD PDSP1_000641 Secoverinum [INN-Latin] 1-Cyclohexyl-4-(ethyl-(p-methoxy-alpha-methylphenethyl)amino)-1-butanone CHEMBL2105414 Secoverina 57558-46-0 (hydrochloride) LS-175854 Secoverine [INN] 1-cyclohexyl-4-(ethyl(p-methoxy-alpha-methylphenyl)amino)-1-butanone BDBM81800 PDSP2_000636 secovorine [ Show all ]
Inchi Key	WAVYHSURRZBQKO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H35NO2/c1-4-23(16-8-11-22(24)20-9-6-5-7-10-20)18(2)17-19-12-14-21(25-3)15-13-19/h12-15,18,20H,4-11,16-17H2,1-3H3
PubChem CID	42470
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81800
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.41 nM	PMID2250662	BindingDB
Ki	5.9 nM	PMID1646322	BindingDB

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