Reaction Details |
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Target | Carboxylic ester hydrolase |
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Ligand | BDBM8970 |
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Substrate/Competitor | BDBM8978 |
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Meas. Tech. | Measurement of FBSAChE/EqBuChE Inhibitory Activity |
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Ki | 35±n/a 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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Carboxylic ester hydrolase |
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Name: | Carboxylic ester hydrolase |
Synonyms: | BuChE | Butyrlcholinesterase (BuChE) | Butyrylcholine esterase | Butyrylcholinesterase | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | Butyrylcholinesterase (EqBuChE) | Carboxylic ester hydrolase | butyrylcholinesterase precursor |
Type: | Protein |
Mol. Mass.: | 68842.83 |
Organism: | Equus caballus (Horse) |
Description: | Q9N1N9 |
Residue: | 602 |
Sequence: | MQSWGTIICIRILLRFLLLWVLIGNSHTEEDIIITTKNGKVRGMNLPVLGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDC
LYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALG
FLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPR
SQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEI
LLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDV
VGDYNIICPALEFTKKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLER
RVNYTKAEEILSRSIMKRWANFAKYGNPNGTQSNSTRWPVFKSTEQKYLTLNTESPKVYT
KLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCS
DF
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BDBM8970 |
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BDBM8978 |
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Name | BDBM8970 |
Synonyms: | CHEMBL51197 | N-[7-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)heptyl]-1,2,3,4-tetrahydroacridin-9-amine | Tacrine Dimer 4f | tacrine heterobivalent compound 3e |
Type | Small organic molecule |
Emp. Form. | C33H39N3S |
Mol. Mass. | 509.748 |
SMILES | C(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12 |
Structure |
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