Target
Acetylcholinesterase
Ligand
BDBM32021
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
>10000±n/a nM
Comments
extracted
Citation
 Muñoz-Torrero López-Ibarra, DInestrosa Cantín, NMViayna Gaza, ESola Lao, IVázquez Cruz, S Beta-amyloid-directed multitarget compounds for the treatment of alzheimer's disease US Patent  US9238626 Publication Date 1/19/2016 
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:
BDBM32021
Synonyms:
4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid | 4,5-dihydroxy-9,10-diketo-anthracene-2-carboxylic acid | 4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid | 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid | MLS000069639 | RHEIN | SMR000058210 | US20230364057, Compound 82 | US9238626, Rhein | cid_10168
Type:
Small organic molecule
Emp. Form.:
C15H8O6
Mol. Mass.:
284.2204
SMILES:
OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Structure:
Search PDB for entries with ligand similarity: