Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50633267
Substrate
n/a
Meas. Tech.
ChEMBL_2375732
IC50
1790±n/a nM
Citation
 Niu, ZX; Wang, YT; Zhang, SN; Li, Y; Chen, XB; Wang, SQ; Liu, HM Application and synthesis of thiazole ring in clinically approved drugs. Eur J Med Chem 250:0 (2023) [PubMed] 
Target
Name:
Acetylcholinesterase
Synonyms:
Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE) | ACES_HUMAN | ACHE
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Human
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50633267
Synonyms:
CHEMBL5414074
Type:
Small organic molecule
Emp. Form.:
C21H31ClN4O5S
Mol. Mass.:
487.02
SMILES:
COc1cc(O)c(cc1OC)C(=O)Nc1nc(cs1)C(=O)NCCN(C(C)C)C(C)C
Structure:
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