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Target
Acetylcholinesterase
Ligand
BDBM32021
Substrate
n/a
Meas. Tech.
ChEMBL_1335842 (CHEMBL3238626)
IC50
>10000±n/a nM
Citation
 Viayna, E; Sola, I; Bartolini, M; De Simone, A; Tapia-Rojas, C; Serrano, FG; Sabaté, R; Juárez-Jiménez, J; Pérez, B; Luque, FJ; Andrisano, V; Clos, MV; Inestrosa, NC; Muñoz-Torrero, D Synthesis and multitarget biological profiling of a novel family of rhein derivatives as disease-modifying anti-Alzheimer agents. J Med Chem 57:2549-67 (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:
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:
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