| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 22 | Yes |
Popular Name: 5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindoline-2,3-dione 5-[2-(methoxymethyl)pyrrolidin-1…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.49 | 0.67 | -14.46 | 1 | 7 | 0 | 97 | 324.358 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | -1.3 | -44.96 | 0 | 7 | -1 | 100 | 323.35 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CASP3-1-E | Caspase-3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 85 | 0.45 | Binding ≤ 10μM |
| CASP7-1-E | Caspase-7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 170 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CASP3_HUMAN | P42574 | Caspase-3, Human | 119.94993 | 0.44 | Binding ≤ 1μM |
| CASP7_HUMAN | P55210 | Caspase-7, Human | 170 | 0.43 | Binding ≤ 1μM |
| CASP3_HUMAN | P42574 | Caspase-3, Human | 119.94993 | 0.44 | Binding ≤ 10μM |
| CASP7_HUMAN | P55210 | Caspase-7, Human | 1290 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of caspases through apoptosome-mediated cleavage | |
| Activation of DNA fragmentation factor | |
| Apoptotic cleavage of cell adhesion proteins | |
| Apoptotic cleavage of cellular proteins | |
| Caspase-mediated cleavage of cytoskeletal proteins | |
| Degradation of the extracellular matrix | |
| NADE modulates death signalling | |
| Role of DCC in regulating apoptosis | |
| Signaling by Hippo | |
| SMAC binds to IAPs | |
| SMAC-mediated dissociation of IAP:caspase complexes | |
| Stimulation of the cell death response by PAK-2p34 |
