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Target
Acetylcholinesterase
Ligand
BDBM50279982
Substrate
n/a
Meas. Tech.
ChEBML_28154
IC50
335±n/a nM
Citation
 Desai, MC; Thadeio, PF; Lipinski, CA; Liston, DR; Spencer, RW; Williams, IH Physical parameters for brian uptake: optimizing log P, log D and pKa of T H A Bioorg Med Chem Lett 1:411-414 (1991)    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:
BDBM50279982
Synonyms:
5-Fluoro-3,4-dihydro-2H-1-oxa-9-aza-anthracen-10-ylamine | CHEMBL133520
Type:
Small organic molecule
Emp. Form.:
C12H11FN2O
Mol. Mass.:
218.2269
SMILES:
Nc1c2CCCOc2nc2cccc(F)c12
Structure:
Search PDB for entries with ligand similarity: