Reaction Details |
| Report a problem with these data |
Target | Acetylcholinesterase |
---|
Ligand | BDBM50005579 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_2082810 (CHEMBL4738601) |
---|
Kd | 5300±n/a nM |
---|
Citation | Wei, Z; Yang, J; Liu, Y; Nie, H; Yao, L; Yang, J; Guo, L; Zheng, Z; Ouyang, Q Molecular modeling-guided optimization of acetylcholinesterase reactivators: A proof for reactivation of covalently inhibited targets. Eur J Med Chem215:0 (2021) [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
|
|
|
BDBM50005579 |
---|
n/a |
---|
Name | BDBM50005579 |
Synonyms: | CHEMBL139148 | Obidoxime |
Type | Small organic molecule |
Emp. Form. | C14H16N4O3 |
Mol. Mass. | 288.3007 |
SMILES | O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 |
Structure |
|