Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50513900
Substrate
n/a
Meas. Tech.
ChEMBL_1854915 (CHEMBL4355644)
Ki
61±n/a nM
Citation
 Sangshetti, J; Pathan, SK; Patil, R; Akber Ansari, S; Chhajed, S; Arote, R; Shinde, DB Synthesis and biological activity of structurally diverse phthalazine derivatives: A systematic review. Bioorg Med Chem 27:3979-3997 (2019) [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:
BDBM50513900
Synonyms:
CHEMBL4444582
Type:
Small organic molecule
Emp. Form.:
C15H10FN3O5S
Mol. Mass.:
363.32
SMILES:
NS(=O)(=O)c1ccc(cc1)C(=O)n1[nH]c(=O)c2cc(F)ccc2c1=O
Structure:
Search PDB for entries with ligand similarity: