Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50221063
Substrate
n/a
Meas. Tech.
ChEMBL_651480 (CHEMBL1227597)
Ki
430±n/a nM
Citation
 McNulty, J; Nair, JJ; Little, JR; Brennan, JD; Bastida, J Structure-activity studies on acetylcholinesterase inhibition in the lycorine series of Amaryllidaceae alkaloids. Bioorg Med Chem Lett 20:5290-4 (2010) [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:
BDBM50221063
Synonyms:
(1S,2S,12bS,12cS)-1,2-Diol-2,4,5,7, 12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1-acetate | 1-Acetoxylycorine | 1-Acetyllycorine | 1-O-Acetyllycorine | CHEMBL251077 | acetic acid (1S,2S,12bS,12cS)-2-hydroxy-1,2,4,5,12b,12c-hexahydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1-yl ester
Type:
Small organic molecule
Emp. Form.:
C18H19NO5
Mol. Mass.:
329.3472
SMILES:
CC(=O)O[C@@H]1[C@@H](O)C=C2CCN3Cc4cc5OCOc5cc4[C@H]1[C@@H]23 |r,t:7|
Structure:
Search PDB for entries with ligand similarity: