Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM152539
Substrate
n/a
Meas. Tech.
Cholinesterase Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
7.28e+3±n/a nM
Comments
extracted
Citation
 Kanhed, AM; Sinha, A; Machhi, J; Tripathi, A; Parikh, ZS; Pillai, PP; Giridhar, R; Yadav, MR Discovery of isoalloxazine derivatives as a new class of potential anti-Alzheimer agents and their synthesis. Bioorg Chem 61:7-12 (2015) [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:
BDBM152539
Synonyms:
10-(2-Fluorobenzyl)benzo[g]pteridine-2,4(3H,10H)-dione (7g)
Type:
Small organic molecule
Emp. Form.:
C17H11FN4O2
Mol. Mass.:
322.2932
SMILES:
Fc1ccccc1Cn1c2ccccc2nc2c1nc(=O)[nH]c2=O
Structure:
Search PDB for entries with ligand similarity: