Ki Summary

Reaction Details

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Target

Peptidyl-prolyl cis-trans isomerase ESS1

Ligand

BDBM53408

Substrate/Competitor

n/a

Meas. Tech.

Pin1 Inhibition Assay

7±0

Temperature

273.15±n/a K

IC50

>1.5e+3±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 Biol10:15-24 (2003) [PubMed] Article

More Info.:

Get all data from this article, Solution Info, Assay Method

Peptidyl-prolyl cis-trans isomerase ESS1

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:

MPSDVASRTGLPTPWTVRYSKSKKREYFFNPETKHSQWEEPEGTNKDQLHKHLRDHPVRV
RCLHILIKHKDSRRPASHRSENITISKQDATDELKTLITRLDDDSKTNSFEALAKERSDC
SSYKRGGDLGWFGRGEMQPSFEDAAFQLKVGEVSDIVESGSGVHVIKRVG

BDBM53408

n/a

Name

BDBM53408

Synonyms:

(2S)-2-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carbonyl]amino]-4-methyl-valeric acid benzyl ester | (2S)-2-[[[5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1H-imidazol-4-yl]-oxomethyl]amino]-4-methylpentanoic acid (phenylmethyl) ester | (phenylmethyl) (2S)-2-[[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1H-imidazol-4-yl]carbonylamino]-4-methyl-pentanoate | MLS000834722 | PiJ | SMR000463868 | benzyl (2S)-2-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carbonyl]amino]-4-methylpentanoate | cid_16746565

Type

Small organic molecule

Emp. Form.

C27H30N4O4

Mol. Mass.

474.5515

SMILES

CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1)C(=O)OCc1ccccc1

Structure