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Target
Acetylcholinesterase
Ligand
BDBM50020522
Substrate
n/a
Meas. Tech.
ChEMBL_2164642 (CHEMBL5049503)
IC50
55000±n/a nM
Citation
 Da Silva, O; Probst, N; Landry, C; Hanak, AS; Warnault, P; Coisne, C; Calas, AG; Gosselet, F; Courageux, C; Gastellier, AJ; Trancart, M; Baati, R; Dehouck, MP; Jean, L; Nachon, F; Renard, PY; Dias, J A New Class of Bi- and Trifunctional Sugar Oximes as Antidotes against Organophosphorus Poisoning. J Med Chem 65:4649-4666 (2022) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
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:
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