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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 DM1
Species	Drosophila melanogaster (Fruit fly)
Gene	mAChR-A
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	805
Amino acid sequence	MEPVMSLALAAHGPPSILEPLFKTVTTSTTTTTTTTTSTTTTTASPAGYSPGYPGTTLLTALFENLTSTAASGLYDPYSGMYGNQTNGTIGFETKGPRYSLASMVVMGFVAAILSTVTVAGNVMVMISFKIDKQLQTISNYFLFSLAIADFAIGAISMPLFAVTTILGYWPLGPIVCDTWLALDYLASNASVLNLLIISFDRYFSVTRPLTYRAKRTTNRAAVMIGAAWGISLLLWPPWIYSWPYIEGKRTVPKDECYIQFIETNQYITFGTALAAFYFPVTIMCFLYWRIWRETKKRQKDLPNLQAGKKDSSKRSNSSDENTVVNHASGGLLAFAQVGGNDHDTWRRPRSESSPDAESVYMTNMVIDSGYHGMHSRKSSIKSTNTIKKSYTCFGSIKEWCIAWWHSGREDSDDFAYEQEEPSDLGYATPVTIETPLQSSVSRCTSMNVMRDNYSMGGSVSGVRPPSILLSDVSPTPLPRPPLASISQLQEMSAVTASTTANVNTSGNGNGAINNNNNASHNGNGAVNGNGAGNGSGIGLGTTGNATHRDSRTLPVINRINSRSVSQDSVYTILIRLPSDGASSNAANGGGGGPGAGAAASASLSMQGDCAPSIKMIHEDGPTTTAAAAPLASAAATRRPLPSRDSEFSLPLGRRMSHAQHDARLLNAKVIPKQLGKAGGGAAGGGVGGAHALMNARNAAKKKKKSQEKRQESKAAKTLSAILLSFIITWTPYNILVLIKPLTTCSDCIPTELWDFFYALCYINSTINPMCYALCNATFRRTYVRILTCKWHTRNREGMVRGVYN
UniProt	P16395
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	CHEMBL2366467
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Methoctramine
Molecular formula	C36H66Cl4N4O2
IUPAC name	N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]octane-1,8-diamine;tetrahydrochloride
Molecular weight	728.75
Hydrogen bond acceptor	6
Hydrogen bond donor	8
XlogP	None
Synonyms	CCG-222166 LP00862 N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]octane-1,8-diamine tetrahydrochloride RLO2T99XT3 CHEMBL500996 N,N'-bis{6-[(2-methoxybenzyl)amino]hexyl}octane-1,8-diamine tetrahydrochloride Tox21_500862 104807-46-7 J-001258 Methoctramine tetrahydrochloride NCGC00094187-01 CHEBI:73452 LS-186869 N,N'-bis[6-[[(2-Methoxyphenyl)methyl]amino]hexyl]1,8-octane diamine tetrahydrochloride SR-01000075328 DTXSID40146754 Methoctramine hemihydrate N,N'-bis{6-[(2-methoxybenzyl)azaniumyl]hexyl}octane-1,8-diaminium tetrachloride UNII-RLO2T99XT3 AC1L32PA KB-300124 N,N'-Bis(6-((2-methoxybenzyl)amino)hexyl)-1,8-octanediamine tetrahydrochloride NCGC00261547-01 M-105 N,N'-Bis{6-[(2-methoxybenzyl)amino]hexyl}-1,8-octanediamine tetrahydrochloride SR-01000075328-1 EU-0100862 METHOCTRAMINE HYDROCHLORIDE N1,N1'-(octane-1,8-diyl)bis(N6-(2-methoxybenzyl)hexane-1,6-diamine) tetrahydrochloride 1,8-Octanediamine, N,N'-bis(6-(((2-methoxyphenyl)methyl)amino)hexyl)-, tetrahydrochloride [ Show all ]
Inchi Key	CDKGGOUDHGSFAF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H62N4O2.4ClH/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2;;;;/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3;4*1H
PubChem CID	107759
ChEMBL	CHEMBL500996
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Ki	2850.0 nM	PMID17319687	ChEMBL
Ki	3860.0 nM	PMID17319687	ChEMBL

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