| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM10970 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_552463 (CHEMBL1002723) |
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| IC50 | 5120±n/a nM |
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| Citation |  Butini, S; Campiani, G; Borriello, M; Gemma, S; Panico, A; Persico, M; Catalanotti, B; Ros, S; Brindisi, M; Agnusdei, M; Fiorini, I; Nacci, V; Novellino, E; Belinskaya, T; Saxena, A; Fattorusso, C Exploiting protein fluctuations at the active-site gorge of human cholinesterases: further optimization of the design strategy to develop extremely potent inhibitors. J Med Chem51:3154-70 (2008) [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: | 3.1.1.7 | ACES_TETCF | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor | ache |
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| Type: | n/a |
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| Mol. Mass.: | 65900.74 |
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| Organism: | Tetronarce californica (Pacific electric ray) (Torpedo californica) |
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| Description: | P04058 |
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| Residue: | 586 |
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| Sequence: | MNLLVTSSLGVLLHLVVLCQADDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPP
VGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNI
WVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALH
GSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLF
RRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEW
NVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGF
SKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHN
VICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYT
AEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQ
MCVFWNQFLPKLLNATACDGELSSSGTSSSKGIIFYVLFSILYLIF
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| BDBM10970 |
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| n/a |
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| Name | BDBM10970 |
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| Synonyms: | (4aS,9aS)-2,4a,9-trimethyl-2H,3H,4H,4aH,9H,9aH-indolo[3,2-e][1,2]oxazin-6-yl N-(2-ethylphenyl)carbamate | 2-ethylphenylgeneserine oxazine |
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| Type | Small organic molecule |
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| Emp. Form. | C22H27N3O3 |
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| Mol. Mass. | 381.4681 |
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| SMILES | [H][C@]12ON(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3CC)ccc1N2C |r| |
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| Structure | 
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