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Target
Peptidyl-prolyl cis-trans isomerase ESS1
Ligand
BDBM53410
Substrate
n/a
Meas. Tech.
Pin1 Inhibition Assay
pH
7±0
Temperature
273.15±n/a K
IC50
>1.0e+4±n/a nM
Citation
 Uchida, T; Takamiya, M; Takahashi, M; Miyashita, H; Ikeda, H; Terada, T; Matsuo, Y; Shirouzu, M; Yokoyama, S; Fujimori, F; Hunter, T Pin1 and Par14 peptidyl prolyl isomerase inhibitors block cell proliferation. Chem Biol 10:15-24 (2003) [PubMed]  Article 
Target
Name:
Peptidyl-prolyl cis-trans isomerase ESS1
Synonyms:
ESS1 | ESS1_YEAST | PIN1 | PTF1 | Parvulin ESS1 | Peptidyl-prolyl cis-trans isomerase
Type:
Protein
Mol. Mass.:
19411.52
Organism:
Saccharomyces cerevisiae (Baker's yeast)
Description:
P22696
Residue:
170
Sequence:
MPSDVASRTGLPTPWTVRYSKSKKREYFFNPETKHSQWEEPEGTNKDQLHKHLRDHPVRVRCLHILIKHKDSRRPASHRSENITISKQDATDELKTLITRLDDDSKTNSFEALAKERSDCSSYKRGGDLGWFGRGEMQPSFEDAAFQLKVGEVSDIVESGSGVHVIKRVG
  
Inhibitor
Name:
BDBM53410
Synonyms:
4-[[5-[[(1S)-1-benzyl-2-tert-butoxy-2-keto-ethyl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoic acid ethyl ester | 4-[[[5-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid ethyl ester | ILP-IV-38 | MLS000849606 | PiL | SMR000465897 | cid_16746594 | ethyl 4-[[5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-1H-imidazol-4-yl]carbonylamino]benzoate | ethyl 4-[[5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate
Type:
Small organic molecule
Emp. Form.:
C27H30N4O6
Mol. Mass.:
506.5503
SMILES:
CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1
Structure:
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