| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 32 | 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) | 1.53 | 8.4 | -44.35 | 4 | 7 | 1 | 95 | 443.612 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| XIAP-1-E | Inhibitor Of Apoptosis Protein 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 700 | 0.27 | Binding ≤ 10μM |
| Z80156-2-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other | Other | 990 | 0.26 | Functional ≤ 10μM |
| Z80488-2-O | SK-MEL-5 (Melanoma Cells) (cluster #2 Of 3), Other | Other | 1300 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| XIAP_HUMAN | P98170 | Inhibitor Of Apoptosis Protein 3, Human | 10 | 0.35 | Binding ≤ 1μM |
| XIAP_HUMAN | P98170 | Inhibitor Of Apoptosis Protein 3, Human | 10 | 0.35 | Binding ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 990 | 0.26 | Functional ≤ 10μM |
| Z80488 | Z80488 | SK-MEL-5 (Melanoma Cells) | 1300 | 0.26 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| deactivation of the beta-catenin transactivating complex | |
| SMAC binds to IAPs | |
| SMAC-mediated dissociation of IAP:caspase complexes |
