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Target
Acetylcholinesterase
Ligand
BDBM50554717
Substrate
n/a
Meas. Tech.
ChEMBL_2050396 (CHEMBL4705095)
IC50
3500±n/a nM
Citation
 Furuya, T; Shapiro, AB; Comita-Prevoir, J; Kuenstner, EJ; Zhang, J; Ribe, SD; Chen, A; Hines, D; Moussa, SH; Carter, NM; Sylvester, MA; Romero, JAC; Vega, CV; Sacco, MD; Chen, Y; O'Donnell, JP; Durand-Reville, TF; Miller, AA; Tommasi, RA N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay. Bioorg Med Chem 28:0 (2020) [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:
BDBM50554717
Synonyms:
CHEMBL4746231
Type:
Small organic molecule
Emp. Form.:
C23H25N5O3S
Mol. Mass.:
451.541
SMILES:
CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N(O)C=O |r|
Structure:
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