| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 19 | Yes |
Popular Name: (2S)-2-amino-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide (2S)-2-amino-N-(4,5-dihydrobenzo…
| 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) | 1.46 | 5.04 | -51.89 | 4 | 4 | 1 | 70 | 274.369 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 4.78 | -16.41 | 3 | 4 | 0 | 68 | 273.361 | 2 | ↓ |
| 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 | 5600 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| XIAP_HUMAN | P98170 | Inhibitor Of Apoptosis Protein 3, Human | 5600 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| deactivation of the beta-catenin transactivating complex | |
| SMAC binds to IAPs | |
| SMAC-mediated dissociation of IAP:caspase complexes |
