In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 41 | 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) | 6.38 | 11.38 | -60.45 | 1 | 9 | -1 | 131 | 595.767 | 10 | ↓ |
Lo Low (pH 4.5-6) | 6.38 | 11.62 | -51.27 | 3 | 9 | 1 | 129 | 597.783 | 10 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
BAD-1-E | Bcl2-antagonist Of Cell Death (BAD) (cluster #1 Of 1), Eukaryotic | Eukaryotes | 360 | 0.22 | Binding ≤ 10μM |
BCL2-1-E | Apoptosis Regulator Bcl-2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 67 | 0.24 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
BCL2_HUMAN | P10415 | Apoptosis Regulator Bcl-2, Human | 67 | 0.24 | Binding ≤ 1μM |
BAD_HUMAN | Q92934 | Bcl2-antagonist Of Cell Death (BAD), Human | 0.8 | 0.31 | Binding ≤ 1μM |
BCL2_HUMAN | P10415 | Apoptosis Regulator Bcl-2, Human | 67 | 0.24 | Binding ≤ 10μM |
BAD_HUMAN | Q92934 | Bcl2-antagonist Of Cell Death (BAD), Human | 0.8 | 0.31 | Binding ≤ 10μM |
Description | Species |
---|---|
Activation of BAD and translocation to mitochondria | |
AKT phosphorylates targets in the cytosol | |
BH3-only proteins associate with and inactivate anti-apoptotic BCL-2 members | |
Constitutive PI3K/AKT Signaling in Cancer | |
NRAGE signals death through JNK | |
The NLRP1 inflammasome |