| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Acetylcholinesterase |
|---|
| Ligand | BDBM50333779 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1676704 (CHEMBL4026847) |
|---|
| Kd | 945600±n/a nM |
|---|
| Citation |  de Koning, MC; Joosen, MJA; Worek, F; Nachon, F; van Grol, M; Klaassen, SD; Alkema, DPW; Wille, T; de Bruijn, HM Application of the Ugi Multicomponent Reaction in the Synthesis of Reactivators of Nerve Agent Inhibited Acetylcholinesterase. J Med Chem60:9376-9392 (2017) [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
|
|
|
|---|
| BDBM50333779 |
|---|
| n/a |
|---|
| Name | BDBM50333779 |
|---|
| Synonyms: | 1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxapropane; dichloride(Toxogonin) | 1,3-bis(4-hydroxyiminomethylpyridinium)-2-oxa-propane dichloride | 1,3-bis(4-hydroxyiminomethylpyridinium)-2-oxapropane dichloride | 4-[(E)-(hydroxyimino)methyl]-1-[({4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride | 4-[(E)-(hydroxyimino)methyl]-1-[({4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride(toxogonin) | 4-[(hydroxyimino)methyl]-1-[({4-[(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride | CHEMBL291233 | Obidoxime chloride | Toxogonin | obidoxime |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C14H16N4O3 |
|---|
| Mol. Mass. | 288.3007 |
|---|
| SMILES | O=NCc1cc[n+](COC[n+]2ccc(CN=O)cc2)cc1 |
|---|
| Structure | 
|
|---|
Search and Browse
