Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50027367
Substrate
n/a
Meas. Tech.
ChEMBL_1439748 (CHEMBL3385584)
IC50
2170±n/a nM
Citation
 Ying, YM; Shan, WG; Zhan, ZJ Biotransformation of huperzine A by a fungal endophyte of Huperzia serrata furnished sesquiterpenoid-alkaloid hybrids. J Nat Prod 77:2054-9 (2014) [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:
BDBM50027367
Synonyms:
CHEMBL3338387
Type:
Small organic molecule
Emp. Form.:
C30H38N2O5
Mol. Mass.:
506.6331
SMILES:
[H][C@@]12CC(C)(C)CC1=C1C(=O)O[C@]([H])(N[C@@]34CC(C)=C[C@@]([H])(Cc5[nH]c(=O)ccc35)\C4=C/C)[C@]1(O)C[C@H](O)[C@@H]2C |r,c:19,t:8,TLB:31:30:22.23.29:19.17.16|
Structure:
Search PDB for entries with ligand similarity: