| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 22 | No |
| 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) | 3.06 | 10.28 | -52.22 | 0 | 4 | -1 | 62 | 399.311 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| B2CL1-1-E | Apoptosis Regulator Bcl-X (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8700 | 0.32 | Binding ≤ 10μM |
| BCL2-1-E | Apoptosis Regulator Bcl-2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2400 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BCL2_HUMAN | P10415 | Apoptosis Regulator Bcl-2, Human | 2400 | 0.36 | Binding ≤ 10μM |
| B2CL1_HUMAN | Q07817 | Apoptosis Regulator Bcl-X, Human | 10000 | 0.32 | 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 |
