Reaction Details
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Orphan methyltransferase M.SssI
Ligand
BDBM50384789
Substrate
n/a
Meas. Tech.
DNA Methylation Assay
pH
7.5±n/a
IC50
5.36e+4± 4.1e+3 nM
Comments
extracted
Citation
Fagan, RL; Cryderman, DE; Kopelovich, L; Wallrath, LL; Brenner, C Laccaic acid A is a direct, DNA-competitive inhibitor of DNA methyltransferase 1. J Biol Chem 288:23858-67 (2013) [PubMed] Article More Info.:
Target
Name:
Orphan methyltransferase M.SssI
Synonyms:
CpG DNA methylase | M.SssI methyltransferase | MTSI_SPISQ | mssSI | sssIM
Type:
Protein
Mol. Mass.:
44323.75
Organism:
Spiroplasma monobiae strain MQ-1
Description:
P15840
Residue:
386
Sequence:
MSKVENKTKKLRVFEAFAGIGAQRKALEKVRKDEYEIVGLAEWYVPAIVMYQAIHNNFHTKLEYKSVSREEMIDYLENKTLSWNSKNPVSNGYWKRKKDDELKIIYNAIKLSEKEGNIFDIRDLYKRTLKNIDLLTYSFPCQDLSQQGIQKGMKRGSGTRSGLLWEIERALDSTEKNDLPKYLLMENVGALLHKKNEEELNQWKQKLESLGYQNSIEVLNAADFGSSQARRRVFMISTLNEFVELPKGDKKPKSIKKVLNKIVSEKDILNNLLKYNLTEFKKTKSNINKASLIGYSKFNSEGYVYDPEFTGPTLTASGANSRIKIKDGSNIRKMNSDETFLYIGFDSQDGKRVNEIEFLTENQKIFVCGNSISVEVLEAIIDKIGG
Inhibitor
Name:
BDBM50384789
Synonyms:
CHEMBL2037378 | Laccaic acid A (LCA)
Type:
Small organic molecule
Emp. Form.:
C26H19NO12
Mol. Mass.:
537.4286
SMILES:
CC(=O)NCCc1ccc(O)c(c1)-c1c(O)c(O)c2C(=O)c3cc(O)c(C(O)=O)c(C(O)=O)c3C(=O)c2c1O |(18.51,2.43,;18.52,.89,;19.87,.13,;17.2,.1,;17.22,-1.44,;15.9,-2.22,;15.92,-3.76,;17.26,-4.52,;17.28,-6.06,;15.95,-6.84,;15.96,-8.38,;14.61,-6.08,;14.6,-4.54,;13.29,-6.86,;13.31,-8.42,;14.64,-9.18,;11.96,-9.2,;11.97,-10.74,;10.62,-8.43,;9.28,-9.21,;9.28,-10.75,;7.94,-8.44,;6.6,-9.21,;5.27,-8.44,;3.93,-9.21,;5.27,-6.89,;3.93,-6.12,;2.6,-6.89,;3.93,-4.59,;6.59,-6.12,;6.59,-4.59,;5.26,-3.82,;7.92,-3.81,;7.93,-6.89,;9.26,-6.1,;9.26,-4.56,;10.61,-6.88,;11.95,-6.09,;11.93,-4.56,)|
Structure:
