Reaction Details |
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Target | Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 |
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Ligand | BDBM50020522 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_138646 (CHEMBL749275) |
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IC50 | 160000±n/a nM |
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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 Chem32:493-503 (1989) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 |
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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: | MNNSTNSSNNGLAITSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNY
FLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFD
RYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQF
FSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKEKKEPVANQDPVSPSLVQGRI
VKPNNNNMPGGDGGLEHNKIQNGKAPRDGGTENCVQGEEKESSNDSTSVSAVASNMRDDE
ITQDENTVSTSLGHSKDDNSRQTCIKIVTKTQKGDACTPTSTTVELVGSSGQNGDEKQNI
VARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNT
VWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
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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: | MEGESYHNETTVNGTPVNHQALERHGLWEVITIAAVTAVVSLMTIVGNVLVMISFKVNSQ
LKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWVLGSLACDLWLALDYVASNASVMN
LLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLVSFILWAPAILCWQYLVGKRTVPP
DECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVAEVK
KRKPAHRTLLRSFFSCPRPSLAQRVRNQASWSSSRRSTSTTGKPTQATDLSADWEKAEQV
TNCSSCPSSEDEAKATTDPVFQVVCKNEAKESPGKEFNTQETKETFVSPRTENNDYDTPK
YFLSPGAAHRLKSQKCVAYKFRLVVKADGTQETNNGCRKVKIMPCSFPVSKDPSTKGLDP
HLSHQMTKRKRMVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLG
YWLCYVNSTINPICYALCNRTFRKTFKLLLLCRWKKKKVEEKLYWQGNSKLP
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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: | MANFTPVNGSSANQSVRLVTTAHNHLETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNR
QLQTVNNYFLFSLACADLIIGAFSMNLYTLYIIKGYWPLGAVVCDLWLALDYVVSNASVM
NLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVP
DNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKT
LAFLKSPLMKPSIKKPPPGGASREELRNGKLEEAPPPALPPPPRPVADKDTSNESSSGSA
TQNTKERPPTELSTTEAATTPALPAPTLQPRTLNPASKWSKIQIVTKQTGSECVTAIEIV
PATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMV
LVNTFCQSCIPERVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
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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: | MTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVSQLDSYNISQTSGNFSSNDTSSDPLG
GHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVIS
MNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRT
TKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFY
MPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGTK
RSSRRKYGGCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSET
RAIYSIVLKLPGHSTILNSTKLPSSDNLQVPDKDLGTMDVERNAHKLQAQKSMDDRDNCQ
KDFSKLPIQLESAVDTAKTSDTNSSVDKTTAALPLSFKEATLAKRFALKTRSQITKRKRM
SLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNP
VCYALCNKTFRTTFKMLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
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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: | MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVN
NYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLIS
FDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYI
QFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSS
SERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEV
VIKMPMVDPEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKE
KKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYAL
CNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
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BDBM50020522 |
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n/a |
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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 |
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