BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex)
LigandBDBM53611
Substrate/Competitorn/a
Meas. Tech.Dose Response confirmation of uHTS small molecule inhibitors of tim10-1: a luminescent tim23-1 yeast counterscreen.
IC50 7770±n/a nM
Citation PubChem, PC Dose Response confirmation of uHTS small molecule inhibitors of tim10-1: a luminescent tim23-1 yeast counterscreen. PubChem Bioassay(2011)[AID]
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex)
Name:TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex)
Synonyms:n/a
Type:Enzyme Catalytic Domain
Mol. Mass.:23245.32
Organism:Saccharomyces cerevisiae S288c
Description:gi_285814664
Residue:222
Sequence:
MSWLFGDKTPTDDANAAVGGQDTTKPKELSLKQSLGFEPNINNIISGPGGMHVDTARLHP
LAGLDKGVEYLDLEEEQLSSLEGSQGLIPSRGWTDDLCYGTGAVYLLGLGIGGFSGMMQG
LQNIPPNSPGKLQLNTVLNHITKRGPFLGNNAGILALSYNIINSTIDALRGKHDTAGSIG
AGALTGALFKSSKGLKPMGYSSAMVAAACAVWCSVKKRLLEK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM53611
NameBDBM53611
Synonyms:1-(2-methoxyphenyl)-3-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione | 1-(2-methoxyphenyl)-3-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]pyrrolidine-2,5-dione | 1-(2-methoxyphenyl)-3-[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]pyrrolidine-2,5-quinone | 1-(2-methoxyphenyl)-3-{[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}-2,5-pyrrolidinedione | MLS000626947 | SMR000272088 | cid_2930975
TypeSmall organic molecule
Emp. Form.C20H18N4O3S
Mol. Mass.394.447
SMILESCOc1ccccc1-n1c(O)cc(Sc2nnc([nH]2)-c2cccc(C)c2)c1O |(3.08,-4.98,;4.41,-4.21,;5.75,-4.98,;5.75,-6.52,;7.08,-7.29,;8.41,-6.52,;8.41,-4.98,;7.08,-4.21,;7.08,-2.67,;8.33,-1.76,;9.79,-2.24,;7.85,-.3,;6.31,-.3,;5.41,.95,;6.03,2.36,;5.26,3.69,;6.29,4.83,;7.7,4.21,;7.54,2.68,;9.03,4.98,;9.03,6.52,;10.37,7.29,;11.7,6.52,;11.7,4.98,;13.03,4.21,;10.37,4.21,;5.84,-1.76,;4.37,-2.24,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a