Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50608268
Substrate
n/a
Meas. Tech.
ChEMBL_2273317
IC50
26±n/a nM
Citation
 Lopes, JPB; Silva, L; Lüdtke, DS An overview on the synthesis of carbohydrate-based molecules with biological activity related to neurodegenerative diseases. RSC Med Chem 12:2001-2015 (2021) [PubMed] 
Target
Name:
Cholinesterase
Synonyms:
Acylcholine acylhydrolase | Bche | Butyrylcholine esterase | Butyrylcholinesterase | CHLE_MOUSE | Choline esterase II | Pseudocholinesterase
Type:
Protein
Mol. Mass.:
68465.99
Organism:
Mus musculus (Mouse)
Description:
Q03311
Residue:
603
Sequence:
MQTQHTKVTQTHFLLWILLLCMPFGKSHTEEDFIITTKTGRVRGLSMPVLGGTVTAFLGIPYAQPPLGSLRFKKPQPLNKWPDIHNATQYANSCYQNIDQAFPGFQGSEMWNPNTNLSEDCLYLNVWIPVPKPKNATVMVWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLAFPGNPDAPGNMGLFDQQLALQWVQRNIAAFGGNPKSITIFGESAGAASVSLHLLCPQSYPLFTRAILESGSSNAPWAVKHPEEARNRTLTLAKFTGCSKENEMEMIKCLRSKDPQEILRNERFVLPSDSILSINFGPTVDGDFLTDMPHTLLQLGKVKKAQILVGVNKDEGTAFLVYGAPGFSKDNDSLITRKEFQEGLNMYFPGVSRLGKEAVLFYYVDWLGEQSPEVYRDALDDVIGDYNIICPALEFTKKFAELENNAFFYFFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLGRRVNYTRAEEIFSRSIMKTWANFAKYGHPNGTQGNSTMWPVFTSTEQKYLTLNTEKSKIYSKLRAPQCQFWRLFFPKVLEMTGDIDETEQEWKAGFHRWSNYMMDWQNQFNDYTSKKESCTAL
  
Inhibitor
Name:
BDBM50608268
Synonyms:
CHEMBL5272055
Type:
Small organic molecule
Emp. Form.:
C35H53N3O5
Mol. Mass.:
595.8124
SMILES:
[H][C@@]12OC(C)(C)O[C@]1([H])[C@@]1([H])OC(C)(C)O[C@@]1([H])[C@@H](CNCCCCCCCCCCNc1c3CCCCc3nc3ccccc13)O2 |r|
Structure:
Search PDB for entries with ligand similarity: