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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Cell Reactant: | Caspase-3 | ||
| Syringe Reactant: | BDBM10320 | ||
| Meas. Tech.: | Isothermal Titration Calorimetry | ||
| Entry Date: | 12/19/07 | ||
| ΔG°: | -43.1± (kJ/mole) | ||
| pH: | 7.2±n/a | ||
| Log10Kb: | 7.55± 6.11 | ||
| Temperature: | 298.15±n/a (K) | ||
| ΔH° : | n/a | ||
| ΔHobs : | -44.9±0.334 (kJ/mole) | ||
| Ionic Strength: | n/a | ||
| no | |||
| Protons Released: | n/a | ||
| ΔCp : | n/a | ||
| Stoich. Param.: | 0.55 | ||
| ΔS° : | -0.0062± (kJ/mole-K) | ||
| Comments: | n/a | ||
| Citation |  Aulabaugh, A; Kapoor, B; Huang, X; Dollings, P; Hum, WT; Banker, A; Wood, A; Ellestad, G Biochemical and biophysical characterization of inhibitor binding to caspase-3 reveals induced asymmetry. Biochemistry46:9462-71 (2007) [PubMed] Article | ||
| More Info.: | Get all data from this article , ITC RUN data , Solution Info , Data Fit Method , Instrument Info | ||
| Caspase-3 | |||
| Source: | The DNA sequence encoding the caspase-3 catalytic domain with a C-terminal hexa-His tag was cloned and expressed in Escherichia coli BL21 (DE3) cells. | ||
| Purity: | >95% | ||
| Prep. Method: | The cell extracts were further purified by Ni-NTA agarose and gel-filtration columns. The purified caspase-3 showed 2 subunits of 20 and 10 kDa on reduced SDS-PAGE. | ||
| Name: | Caspase-3 | ||
| Synonyms: | Apopain | CASP-3 | CASP3 | CASP3_HUMAN | CPP-32 | CPP32 | Caspase 3 | Caspase-3 subunit p12 | Caspase-3 subunit p17 | Cysteine protease CPP32 | SCA-1 | SREBP cleavage activity 1 | Yama protein | caspase-3 preproprotein | ||
| Type: | Hydrolase; heterotetramer of two heterodimers | ||
| Mol. Mass.: | 31607.55 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | n/a | ||
| Residue: | 277 | ||
| Sequence: |
| ||
| BDBM10320 | |||
| Source: | n/a | ||
| Purity: | n/a | ||
| Prep. Method: | n/a | ||
| Name | BDBM10320 | ||
| Synonyms: | (S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin | 1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione | CHEMBL293034 | IST-2 | Isatin Sulfonamide 31 | Pyrrolidine Isatin Analogue 11a | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H20N2O5S | ||
| Mol. Mass. | 400.448 | ||
| SMILES | CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| | ||
| Structure | 
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