| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50246564 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1676710 (CHEMBL4026853) |
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| Kd | 815800±n/a nM |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| Acetylcholinesterase |
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| Name: | Acetylcholinesterase |
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| Synonyms: | ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE) |
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| Type: | Enzyme |
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| Mol. Mass.: | 67792.70 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P22303 |
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| Residue: | 614 |
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| Sequence: | MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
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| BDBM50246564 |
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| n/a |
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| Name | BDBM50246564 |
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| Synonyms: | CHEMBL4091748 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H33N5O3 |
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| Mol. Mass. | 427.5398 |
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| SMILES | CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1ccnc1\C=N\O |
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| Structure | 
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