Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM8974 |
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Substrate/Competitor | BDBM8959 |
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Meas. Tech. | Measurement of FBSAChE/EqBuChE Inhibitory Activity |
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pH | 8±n/a |
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Temperature | 298.15±n/a K |
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Ki | 9.1±1 nM |
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Citation | Campiani, G; Fattorusso, C; Butini, S; Gaeta, A; Agnusdei, M; Gemma, S; Persico, M; Catalanotti, B; Savini, L; Nacci, V; Novellino, E; Holloway, HW; Greig, NH; Belinskaya, T; Fedorko, JM; Saxena, A Development of molecular probes for the identification of extra interaction sites in the mid-gorge and peripheral sites of butyrylcholinesterase (BuChE). Rational design of novel, selective, and highly potent BuChE inhibitors. J Med Chem48:1919-29 (2005) [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 |
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
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BDBM8974 |
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BDBM8959 |
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Name | BDBM8974 |
Synonyms: | CHEMBL367067 | N-Methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)propyl]-1,3-propanediamine | Tacrine Dimer 4j | methyl[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl][3-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)propyl]amine |
Type | Small organic molecule |
Emp. Form. | C33H40N4S |
Mol. Mass. | 524.763 |
SMILES | CN(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12 |
Structure |
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