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Target
Acetylcholinesterase
Ligand
BDBM50272761
Substrate
n/a
Meas. Tech.
ChEMBL_513727 (CHEMBL978158)
IC50
71100±n/a nM
Citation
 Ansari, FL; Iftikhar, F; Ihsan-Ul-Haq, na; Mirza, B; Baseer, M; Rashid, U Solid-phase synthesis and biological evaluation of a parallel library of 2,3-dihydro-1,5-benzothiazepines. Bioorg Med Chem 16:7691-7 (2008) [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:
BDBM50272761
Synonyms:
2-(3''-Hydroxyphenyl)-4-(3'-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepine | CHEMBL508510
Type:
Small organic molecule
Emp. Form.:
C21H17NO2S
Mol. Mass.:
347.43
SMILES:
Oc1cccc(c1)C1CC(=Nc2ccccc2S1)c1cccc(O)c1 |c:10|
Structure:
Search PDB for entries with ligand similarity: