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TargetCarboxylic ester hydrolase
LigandBDBM10943
Substrate/CompetitorBDBM8978
Meas. Tech.Enzyme Inhibition Assay
pH7.4±n/a
Temperature310.15±n/a K
IC50 64500±4500 nM
Citation Feng, SWang, ZHe, XZheng, SXia, YJiang, HTang, XBai, D Bis-huperzine B: highly potent and selective acetylcholinesterase inhibitors. J Med Chem48:655-7 (2005) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Carboxylic ester hydrolase
Name:Carboxylic ester hydrolase
Synonyms:Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | BuChE | Butyrylcholinesterase (BuChE) | butyrylcholinesterase precursor
Type:Enzyme
Mol. Mass.:67776.22
Organism:Rattus norvegicus (rat)
Description:n/a
Residue:597
Sequence:
MVTEIHFLLWILLLCMLFGKSHTEEDVIITTKTGRVRGLSMPILGGTVTAFLGIPYAQPP
LGSLRFKKPQPLNKWPDVYNATKYANSCYQNIDQAFPGFQGSEMWNPNTNLSEDCLYLNV
WIPVPKPKNATVMVWVYGGGFQTGTSSLPVYDGKFLTRVERVIVVSMNYRVGALGFLAFP
GNSEAPGNMGLFDQQLALQWIQRNIAAFGGNPKSVTLFGESAGAASVSLHLLCPQSYPLF
TRAILESGSSNAPWAVKHPEEARNRTLTLAKFIGCSKENEKEIITCLRSKDPQEILLNEK
LVLPSDSIRSINFGPTVDGDFLTDMPHTLLQLGKVKTAQILVGVNKDEGTAFLVYGAPGF
SKDNDSLITRREFQEGLNMYFPGVSSLGKEAILFYYVDWLGDQTPEVYREAFDDIIGDYN
IICPALEFTKKFAELEINAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRVNYT
RAEEIFSRSIMKTWANFAKYGHPNGTQGNSTVWPVFTSTEQKYLTLNTEKSKINSKLRAP
QCQFWRLFFPKVLEITGDIDEREQEWKAGFHRWSNYMMDWKNQFNDYTSKKETCTDL
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  Blast E-value cutoff:
BDBM10943
BDBM8978
NameBDBM10943
Synonyms:(1R,10R)-16-methyl-14-{2-[methyl({6-[methyl({2-[(1R,10R)-16-methyl-5-oxo-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,16-trien-14-yl]-2-oxoethyl})amino]hexyl})amino]acetyl}-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,16-trien-5-one | Bis-huperzine B 5c | bis(12)-HupB
TypeSmall organic molecule
Emp. Form.C44H60N6O4
Mol. Mass.736.985
SMILESCN(CCCCCCN(C)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:33,59,TLB:38:39:41.42.48:53.51.50,25:26:17:31.29.28,47:48:39:53.51.50,16:17:19.20.26:31.29.28,THB:21:20:17:31.29.28,43:42:39:53.51.50,30:29:17:19.20.26,52:51:39:41.42.48|
Structure
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