| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Acetylcholinesterase |
|---|
| Ligand | BDBM50154780 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_305174 (CHEMBL832763) |
|---|
| IC50 | 7±n/a nM |
|---|
| Citation |  Guo, J; Hurley, MM; Wright, JB; Lushington, GH A docking score function for estimating ligand-protein interactions: application to acetylcholinesterase inhibition. J Med Chem47:5492-500 (2004) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Acetylcholinesterase |
|---|
| 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: | MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
|
|
|
|---|
| BDBM50154780 |
|---|
| n/a |
|---|
| Name | BDBM50154780 |
|---|
| Synonyms: | 4-[3-(5,6-Dimethoxy-2,3-dihydro-benzo[b]thiophen-2-yl)-3-oxo-propyl]-1-(2-ethoxy-ethyl)-pyridinium | CHEMBL186264 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C22H28NO4S |
|---|
| Mol. Mass. | 402.526 |
|---|
| SMILES | CCOCC[n+]1ccc(CCC(=O)C2Cc3cc(OC)c(OC)cc3S2)cc1 |
|---|
| Structure | 
|
|---|
Search and Browse
