Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50213090
Substrate
n/a
Meas. Tech.
ChEMBL_436796 (CHEMBL904106)
IC50
27900±n/a nM
Citation
 Katakawa, K; Nozoe, A; Kogure, N; Kitajima, M; Hosokawa, M; Takayama, H Fawcettimine-related alkaloids from Lycopodium serratum. J Nat Prod 70:1024-8 (2007) [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:
BDBM50213090
Synonyms:
2-alpha-11-alpha-dihydroxyfawcettidine | CHEMBL376327
Type:
Small organic molecule
Emp. Form.:
C16H23NO3
Mol. Mass.:
277.3587
SMILES:
C[C@@H]1C[C@H]2CC(=O)[C@H]3C[C@H](O)CN4CC[C@@H](O)C23C4=C1 |w:17.19,t:21,TLB:16:15:18:7.8.9.11,10:9:18:14.15.13,THB:5:7:18:14.15.13|
Structure:
Search PDB for entries with ligand similarity: