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Target
Peptidyl-prolyl cis-trans isomerase ESS1
Ligand
BDBM53411
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:
BDBM53411
Synonyms:
(2S)-2-[[[4-[(3-methylanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester | (2S)-6-(tert-butoxycarbonylamino)-2-[[4-(m-tolylcarbamoyl)-1H-imidazole-5-carbonyl]amino]hexanoic acid tert-butyl ester | ILP-IV-14 | MLS000849585 | PiM | SMR000465876 | cid_16746597 | tert-butyl (2S)-2-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazol-5-yl]carbonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate | tert-butyl (2S)-2-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
Type:
Small organic molecule
Emp. Form.:
C27H39N5O6
Mol. Mass.:
529.6285
SMILES:
Cc1cccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1
Structure:
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