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Target
Cholinesterase
Ligand
BDBM50076629
Substrate
n/a
Meas. Tech.
ChEBML_41583
IC50
>2000±n/a nM
Citation
 Degen, SJ; Mueller, KL; Shen, HC; Mulder, JA; Golding, GM; Wei, LL; Zificsak, CA; Neeno-Eckwall, A; Hsung, RP Synthesis of dihydroxanthone derivatives and evaluation of their inhibitory activity against acetylcholinesterase: unique structural analogs of tacrine based on the BCD-ring of arisugacin. Bioorg Med Chem Lett 9:973-8 (1999) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | CHLE_HUMAN | Choline esterase II | Cholinesterases | Cholinesterases; ACHE & BCHE | Pseudocholinesterase
Type:
Homotetramer
Mol. Mass.:
68422.27
Organism:
Human
Description:
P06276
Residue:
602
Sequence:
MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCVGL
  
Inhibitor
Name:
BDBM50076629
Synonyms:
13-methoxy-3-oxo-(2S)-10-oxatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,13-tetraen-2-yl cyanide | CHEMBL176756
Type:
Small organic molecule
Emp. Form.:
C17H15NO3
Mol. Mass.:
281.3059
SMILES:
COC1=CC2CCC1C1Oc3ccccc3C(=O)[C@]21C#N |t:2,TLB:9:8:2.3:6.5,THB:16:18:2.3:6.5,19:18:2.3:6.5,1:2:18.8:6.5|
Structure:
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