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Target
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
Ligand
BDBM50020522
Substrate
n/a
Meas. Tech.
ChEMBL_138646 (CHEMBL749275)
IC50
160000±n/a nM
Citation
 Bedford, CD; Harris, RN; Howd, RA; Goff, DA; Koolpe, GA; Petesch, M; Miller, A; Nolen, HW; Musallam, HA; Pick, RO Quaternary salts of 2-[(hydroxyimino)methyl]imidazole. 2. Preparation and in vitro and in vivo evaluation of 1-(alkoxymethyl)-2-[(hydroxyimino)methyl]-3-methylimida zolium halides for reactivation of organophosphorus-inhibited acetylcholinesterases. J Med Chem 32:493-503 (1989) [PubMed]  Article 
Target
Name:
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
Synonyms:
Muscarinic acetylcholine receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 138646
Components:
This complex has 5 components.
Component 1
Name:
Muscarinic acetylcholine receptor M2
Synonyms:
ACM2_MOUSE | Chrm-2 | Chrm2 | Muscarinic acetylcholine receptor
Type:
PROTEIN
Mol. Mass.:
51515.43
Organism:
Mus musculus
Description:
ChEMBL_139897
Residue:
466
Sequence:
MNNSTNSSNNGLAITSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKEKKEPVANQDPVSPSLVQGRIVKPNNNNMPGGDGGLEHNKIQNGKAPRDGGTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDDNSRQTCIKIVTKTQKGDACTPTSTTVELVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
  
Component 2
Name:
Muscarinic acetylcholine receptor M5
Synonyms:
ACM5_MOUSE | Chrm5 | Muscarinic acetylcholine receptor | Muscarinic acetylcholine receptor M5
Type:
PROTEIN
Mol. Mass.:
60282.66
Organism:
Mus musculus
Description:
ChEMBL_104873
Residue:
532
Sequence:
MEGESYHNETTVNGTPVNHQALERHGLWEVITIAAVTAVVSLMTIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWVLGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLVSFILWAPAILCWQYLVGKRTVPPDECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVAEVKKRKPAHRTLLRSFFSCPRPSLAQRVRNQASWSSSRRSTSTTGKPTQATDLSADWEKAEQVTNCSSCPSSEDEAKATTDPVFQVVCKNEAKESPGKEFNTQETKETFVSPRTENNDYDTPKYFLSPGAAHRLKSQKCVAYKFRLVVKADGTQETNNGCRKVKIMPCSFPVSKDPSTKGLDPHLSHQMTKRKRMVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGYWLCYVNSTINPICYALCNRTFRKTFKLLLLCRWKKKKVEEKLYWQGNSKLP
  
Component 3
Name:
Muscarinic acetylcholine receptor M4
Synonyms:
ACM4_MOUSE | Cholinergic, muscarinic M4 | Chrm-4 | Chrm4 | Mm4 mAChR | Muscarinic acetylcholine receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
53004.88
Organism:
MOUSE
Description:
Cholinergic, muscarinic M4 CHRM4 MOUSE::P32211
Residue:
479
Sequence:
MANFTPVNGSSANQSVRLVTTAHNHLETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTLYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKPSIKKPPPGGASREELRNGKLEEAPPPALPPPPRPVADKDTSNESSSGSATQNTKERPPTELSTTEAATTPALPAPTLQPRTLNPASKWSKIQIVTKQTGSECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPERVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
  
Component 4
Name:
Muscarinic acetylcholine receptor M3
Synonyms:
ACM3_MOUSE | Chrm-3 | Chrm3 | Mm3 mAChR | Muscarinic acetylcholine receptor | Muscarinic acetylcholine receptor M3
Type:
PROTEIN
Mol. Mass.:
66232.94
Organism:
Mus musculus
Description:
ChEMBL_138834
Residue:
589
Sequence:
MTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVSQLDSYNISQTSGNFSSNDTSSDPLGGHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGTKRSSRRKYGGCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPDKDLGTMDVERNAHKLQAQKSMDDRDNCQKDFSKLPIQLESAVDTAKTSDTNSSVDKTTAALPLSFKEATLAKRFALKTRSQITKRKRMSLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
  
Component 5
Name:
Muscarinic acetylcholine receptor M1
Synonyms:
ACM1_MOUSE | Cholinergic receptor, muscarinic 1, CNS | Cholinergic, muscarinic | Chrm-1 | Chrm1 | Muscarinic acetylcholine receptor | Muscarinic acetylcholine receptor M1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
51400.50
Organism:
Mus musculus
Description:
Cholinergic, muscarinic 0 0::Q52KQ0
Residue:
460
Sequence:
MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
  
Inhibitor
Name:
BDBM50020522
Synonyms:
1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-((hydroxyimino)methyl)pyridinium chloride | 1-(2-hydroxyimino-methylpyridium)-3-(4-carboamidopyridinium)-2-oxapropane; dichloride(HI-6) | 1-(2-hydroxyiminomethylpyridinium)-3-(4-carbamoylpyridinium)-2-oxa-propane dichloride | 1-(2-hydroxyiminomethylpyridinium)-3-(4-carbamoylpyridinium)-2-oxapropane dichloride | 4-(aminocarbonyl)-1-({[1-chloro-2-[(E)-(hydroxyimino)methyl]pyridinium-1(2H)-yl]methoxy}methyl)pyridinium; chloride | 4-(aminocarbonyl)-1-({[1-chloro-2-[(E)-(hydroxyimino)methyl]pyridinium-1(2H)-yl]methoxy}methyl)pyridinium;chloride | 4-(aminocarbonyl)-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride | 4-(aminocarbonyl)-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride (HI-6) | 4-(aminocarbonyl)-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride[HI-6] | 4-(aminocarbonyl)-1-[({2-[(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride | 4-carbamoyl-2-((E)-(hydroxyimino)methyl)-1-(((2-((E)-(hydroxyimino)methyl)pyridinium-1-yl)methoxy)methyl)pyridinium chloride | CHEMBL33051
Type:
Small organic molecule
Emp. Form.:
C14H16N4O3
Mol. Mass.:
288.3007
SMILES:
NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1
Structure:
Search PDB for entries with ligand similarity: