| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 22 | No |
Popular Name: DNC010769 DNC010769
None
| 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) | 4.82 | -0.99 | -8.06 | 2 | 2 | 0 | 40 | 290.362 | 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 | 8500 | 0.32 | Binding ≤ 10μM |
| BCL2-1-E | Apoptosis Regulator Bcl-2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4700 | 0.34 | Binding ≤ 10μM |
| Q49PX0-1-V | N1L (cluster #1 Of 1), Viral | Viruses | 900 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q49PX0_9POXV | Q49PX0 | N1L, 9poxv | 900 | 0.38 | Binding ≤ 1μM |
| BCL2_HUMAN | P10415 | Apoptosis Regulator Bcl-2, Human | 4700 | 0.34 | Binding ≤ 10μM |
| B2CL1_HUMAN | Q07817 | Apoptosis Regulator Bcl-X, Human | 8500 | 0.32 | Binding ≤ 10μM |
| Q49PX0_9POXV | Q49PX0 | N1L, 9poxv | 1800 | 0.37 | 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 |
