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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 M4
Species	Rattus norvegicus (Rat)
Gene	Chrm4
Synonym	cholinergic receptor cholinergic receptor, muscarinic 4 Chrm-4 HM3 M4 receptor
Disease	N/A for non-human GPCRs
Length	478
Amino acid sequence	MXNFTPVNGSSANQSVRLVTAAHNHLETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLGCADLIIGAFSMNLYTLYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKPSIKKPPPGGASREELRNGKLEEAPPPALPPPPRPVPDKDTSNESSSGSATQNTKERPPTELSTAEATTPALPAPTLQPRTLNPASKWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPERVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
UniProt	P08485
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	CHEMBL317
IUPHAR	16
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(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 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 [ 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	7.8 nM	PMID1646322	BindingDB

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