| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM22848 |
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| Substrate/Competitor | BDBM8959 |
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| Meas. Tech. | Cholinesterase Inhibition Assay |
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| Ki | >100000±n/a nM |
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| Citation |  Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1. J Med Chem50:5727-34 (2007) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, 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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| BDBM22848 |
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| BDBM8959 |
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| Name | BDBM22848 |
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| Synonyms: | 1,2-Dione-Based Compound, 5 | 1,2-bis(4-nitrophenyl)ethane-1,2-dione |
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| Type | Small organic molecule |
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| Emp. Form. | C14H8N2O6 |
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| Mol. Mass. | 300.2231 |
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| SMILES | [O-][N+](=O)c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)[N+]([O-])=O |
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| Structure | 
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