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Target
Carboxylic ester hydrolase
Ligand
BDBM19461
Substrate
n/a
Meas. Tech.
ChEMBL_2231699 (CHEMBL5145471)
IC50
>50000±n/a nM
Citation
 Mi, J; He, Y; Yang, J; Zhou, Y; Zhu, G; Wu, A; Liu, W; Sang, Z Development of naringenin-O-carbamate derivatives as multi-target-directed liagnds for the treatment of Alzheimer's disease. Bioorg Med Chem Lett 60:0 (2022) [PubMed] 
Target
Name:
Carboxylic ester hydrolase
Synonyms:
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | BuChE | Butyrylcholinesterase (BuChE) | butyrylcholinesterase precursor
Type:
Enzyme
Mol. Mass.:
67776.22
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
597
Sequence:
MVTEIHFLLWILLLCMLFGKSHTEEDVIITTKTGRVRGLSMPILGGTVTAFLGIPYAQPPLGSLRFKKPQPLNKWPDVYNATKYANSCYQNIDQAFPGFQGSEMWNPNTNLSEDCLYLNVWIPVPKPKNATVMVWVYGGGFQTGTSSLPVYDGKFLTRVERVIVVSMNYRVGALGFLAFPGNSEAPGNMGLFDQQLALQWIQRNIAAFGGNPKSVTLFGESAGAASVSLHLLCPQSYPLFTRAILESGSSNAPWAVKHPEEARNRTLTLAKFIGCSKENEKEIITCLRSKDPQEILLNEKLVLPSDSIRSINFGPTVDGDFLTDMPHTLLQLGKVKTAQILVGVNKDEGTAFLVYGAPGFSKDNDSLITRREFQEGLNMYFPGVSSLGKEAILFYYVDWLGDQTPEVYREAFDDIIGDYNIICPALEFTKKFAELEINAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEIFSRSIMKTWANFAKYGHPNGTQGNSTVWPVFTSTEQKYLTLNTEKSKINSKLRAPQCQFWRLFFPKVLEITGDIDEREQEWKAGFHRWSNYMMDWKNQFNDYTSKKETCTDL
  
Inhibitor
Name:
BDBM19461
Synonyms:
α-CA inhibitor, 5 | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one | CHEMBL32571 | Naringenin | Naringenin (NAR) | naringetol | salipurpol
Type:
Estrgen Antagonist
Emp. Form.:
C15H12O5
Mol. Mass.:
272.2528
SMILES:
Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1
Structure:
Search PDB for entries with ligand similarity: