PDB ID: 6H12
Hetero Atom Contents
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Code | Name | Style | Show | Link | |
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CL | Chloride ion | PoSSuM | |||
EDO | 1,2-ethanediol | PoSSuM | |||
FJK | 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{B}~{R})-6-oxidanylidene-2,3,4,10~{B}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea | PoSSuM | |||
GOL | Glycerol | PoSSuM | |||
MES | 2-(N-morpholino)-ethanesulfonic acid | PoSSuM | |||
PEG | Di(hydroxyethyl)ether | PoSSuM | |||
PGE | Triethylene glycol | PoSSuM | |||
SO4 | Sulfate ion | PoSSuM |
Code | Name | Show |
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Code | Name | Emphasize |
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NAG | 2-acetamido-2-deoxy-beta-D-glucopyranose |
Code | Name | Show |
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Download interaction data: 6H12
Structure summary
Code : | 6H12 PDBj RCSB PDB PDBe | ||||||||||||
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Header : | HYDROLASE | ||||||||||||
Title : | Crystal structure of TcACHE complexed to 1-(6-Oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)pyridin-2-yl)urea | ||||||||||||
Release Data : | 2019-05-15 | ||||||||||||
Compound : |
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Authors : | Coquelle, N., Colletier, J.P. | ||||||||||||
Keywords : | complex, inhibitor, alzheimer, acetylcholinesterase, multi-target-directed ligands, MTDL, HYDROLASE | ||||||||||||
Exp. method : | X-RAY DIFFRACTION ( 2.200 Å ) | ||||||||||||
Citation : |
Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3.
Oukoloff, K.,Coquelle, N.,Bartolini, M.
et al.
PubMed: 30798053 |
Reaction
Chain : | A, B | ||||||||
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UniProt : | P04058 (ACES_TETCF) | ||||||||
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