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Target
Cholinesterase
Ligand
BDBM50333779
Substrate
n/a
Meas. Tech.
ChEMBL_699907 (CHEMBL1646126)
IC50
1910000±n/a nM
Citation
 Musilek, K; Roder, J; Komloova, M; Holas, O; Hrabinova, M; Pohanka, M; Dohnal, V; Opletalova, V; Kuca, K; Jung, YS Preparation, in vitro screening and molecular modelling of symmetrical 4-tert-butylpyridinium cholinesterase inhibitors--analogues of SAD-128. Bioorg Med Chem Lett 21:150-4 (2010) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | CHLE_HUMAN | Choline esterase II | Cholinesterases | Cholinesterases; ACHE & BCHE | Pseudocholinesterase
Type:
Homotetramer
Mol. Mass.:
68422.27
Organism:
Homo sapiens (Human)
Description:
P06276
Residue:
602
Sequence:
MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCVGL
  
Inhibitor
Name:
BDBM50333779
Synonyms:
1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxapropane; dichloride(Toxogonin) | 1,3-bis(4-hydroxyiminomethylpyridinium)-2-oxa-propane dichloride | 1,3-bis(4-hydroxyiminomethylpyridinium)-2-oxapropane dichloride | 4-[(E)-(hydroxyimino)methyl]-1-[({4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride | 4-[(E)-(hydroxyimino)methyl]-1-[({4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride(toxogonin) | 4-[(hydroxyimino)methyl]-1-[({4-[(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride | CHEMBL291233 | Obidoxime chloride | Toxogonin | obidoxime
Type:
Small organic molecule
Emp. Form.:
C14H16N4O3
Mol. Mass.:
288.3007
SMILES:
O=NCc1cc[n+](COC[n+]2ccc(CN=O)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: