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Target
Acetylcholinesterase
Ligand
BDBM50568795
Substrate
n/a
Meas. Tech.
ChEMBL_2106831 (CHEMBL4815506)
Kd
5.0±n/a nM
Citation
 Zhou, Y; Fu, Y; Yin, W; Li, J; Wang, W; Bai, F; Xu, S; Gong, Q; Peng, T; Hong, Y; Zhang, D; Zhang, D; Liu, Q; Xu, Y; Xu, HE; Zhang, H; Jiang, H; Liu, H Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. J Med Chem 64:1844-1855 (2021) [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:
BDBM50568795
Synonyms:
CHEMBL4853698
Type:
Small organic molecule
Emp. Form.:
C24H27F2NO3
Mol. Mass.:
415.4729
SMILES:
COc1cc2CC(CC3(F)CCN(Cc4cccc(F)c4)CC3)C(=O)c2cc1OC
Structure:
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