| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 9th, 2011 | 38 | Yes |
| 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) | 4.15 | 14.41 | -52.49 | 3 | 7 | 1 | 86 | 516.71 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.15 | 14.03 | -12.99 | 2 | 7 | 0 | 84 | 515.702 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BCL2-1-E | Apoptosis Regulator Bcl-2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 175 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BCL2_HUMAN | P10415 | Apoptosis Regulator Bcl-2, Human | 175 | 0.25 | Binding ≤ 1μM |
| BCL2_HUMAN | P10415 | Apoptosis Regulator Bcl-2, Human | 175 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of BAD and translocation to mitochondria | |
| BH3-only proteins associate with and inactivate anti-apoptotic BCL-2 members | |
| The NLRP1 inflammasome |
