Reaction Details |
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Target | Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 |
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Ligand | BDBM50228356 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_138261 (CHEMBL743978) |
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Ki | 9190±n/a nM |
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Citation | Audia, VH; McPherson, DW; Weitzberg, M; Rzeszotarski, WJ; Sturm, B; Kachur, JF; Abreu, M; Kaiser, C Synthesis of some 3-(1-azabicyclo[2.2.2]octyl) 3-amino-2-hydroxy-2-phenylpropionates: profile of antimuscarinic efficacy and selectivity. J Med Chem33:307-10 (1990) [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 1821274 |
Components: | This complex has 5 components. |
Component 1 |
Name: | Muscarinic acetylcholine receptor M1 |
Synonyms: | ACM1_RAT | Cholinergic, muscarinic M1 | Chrm-1 | Chrm1 | cholinergic receptor, muscarinic 1 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 51390.46 |
Organism: | RAT |
Description: | P08482 |
Residue: | 460 |
Sequence: | MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVN
NYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLIS
FDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYI
QFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSS
SERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEV
VIKMPMVDSEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKE
KKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYAL
CNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
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Component 2 |
Name: | Muscarinic acetylcholine receptor M3 |
Synonyms: | ACM3_RAT | Cholinergic, muscarinic M3 | Chrm-3 | Chrm3 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 66086.66 |
Organism: | RAT |
Description: | Cholinergic, muscarinic M3 CHRM3 RAT::P08483 |
Residue: | 589 |
Sequence: | MTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVTQLGSYNISQETGNFSSNDTSSDPLG
GHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVIS
MNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRT
TKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFY
MPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGVK
RSSRRKYGRCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSET
RAIYSIVLKLPGHSSILNSTKLPSSDNLQVSNEDLGTVDVERNAHKLQAQKSMGDGDNCQ
KDFTKLPIQLESAVDTGKTSDTNSSADKTTATLPLSFKEATLAKRFALKTRSQITKRKRM
SLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNP
VCYALCNKTFRTTFKTLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
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Component 3 |
Name: | Muscarinic acetylcholine receptor M4 |
Synonyms: | ACM4_RAT | Cholinergic, muscarinic M4 | Chrm-4 | Chrm4 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 52841.70 |
Organism: | RAT |
Description: | Cholinergic, muscarinic M4 CHRM4 RAT::P08485 |
Residue: | 477 |
Sequence: | MNFTPVNGSSANQSVRLVTAAHNHLETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQ
LQTVNNYFLFSLGCADLIIGAFSMNLYTLYIIKGYWPLGAVVCDLWLALDYVVSNASVMN
LLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPD
NQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTL
AFLKSPLMKPSIKKPPPGGASREELRNGKLEEAPPPALPPPPRPVPDKDTSNESSSGSAT
QNTKERPPTELSTAEATTPALPAPTLQPRTLNPASKWSKIQIVTKQTGNECVTAIEIVPA
TPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLV
NTFCQSCIPERVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
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Component 4 |
Name: | Muscarinic acetylcholine receptor M5 |
Synonyms: | ACM5_RAT | Cholinergic, muscarinic M5 | Chrm-5 | Chrm5 | Muscarinic acetylcholine receptor | Muscarinic acetylcholine receptor M5 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 60161.80 |
Organism: | RAT |
Description: | Cholinergic, muscarinic M5 CHRM5 RAT::P08911 |
Residue: | 531 |
Sequence: | MEGESYNESTVNGTPVNHQALERHGLWEVITIAVVTAVVSLMTIVGNVLVMISFKVNSQL
KTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWVLGSLACDLWLALDYVASNASVMNL
LVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLVSFILWAPAILCWQYLVGKRTVPPD
ECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVAEAKK
REPAQRTLLRSFFSCPRPSLAQRERNQASWSSSRRSTSTTGKTTQATDLSADWEKAEQVT
TCSSYPSSEDEAKPTTDPVFQMVYKSEAKESPGKESNTQETKETVVNTRTENSDYDTPKY
FLSPAAAHRLKSQKCVAYKFRLVVKADGTQETNNGCRKVKIMPCSFPVSKDPSTKGPDPN
LSHQMTKRKRMVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGY
WLCYVNSTINPICYALCNRTFRKTFKLLLLCRWKKKKVEEKLYWQGNSKLP
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Component 5 |
Name: | Muscarinic acetylcholine receptor M2 |
Synonyms: | ACM2_RAT | Cholinergic, muscarinic M2 | Chrm-2 | Chrm2 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 51555.53 |
Organism: | RAT |
Description: | P10980 |
Residue: | 466 |
Sequence: | MNNSTNSSNNGLAITSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNY
FLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFD
RYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQF
FSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKEKKEPVANQDPVSPSLVQGRI
VKPNNNNMPGGDGGLEHNKIQNGKAPRDGVTENCVQGEEKESSNDSTSVSAVASNMRDDE
ITQDENTVSTSLGHSRDDNSKQTCIKIVTKAQKGDVCTPTSTTVELVGSSGQNGDEKQNI
VARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNT
VWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
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BDBM50228356 |
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n/a |
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Name | BDBM50228356 |
Synonyms: | CHEMBL1202957 |
Type | Small organic molecule |
Emp. Form. | C21H32ClN3O3 |
Mol. Mass. | 409.95 |
SMILES | Cl.CN1CCN(CC(O)(C(=O)OC2CN3CCC2CC3)c2ccccc2)CC1 |(7.78,-1.66,;-2.97,-8.21,;-2.96,-6.98,;-4.28,-6.2,;-4.27,-4.66,;-2.93,-3.9,;-2.91,-2.36,;-1.57,-1.6,;-1.56,-.37,;-.25,-2.38,;-.26,-3.62,;1.1,-1.63,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,;-2.9,-.82,;-4.24,-1.57,;-5.57,-.79,;-5.55,.75,;-4.21,1.5,;-2.88,.72,;-1.6,-4.68,;-1.62,-6.22,)| |
Structure |
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