| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 18 | No |
Popular Name: DNC009952 DNC009952
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) | 2.74 | 6.11 | -10.37 | 2 | 3 | 0 | 49 | 241.29 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 7.32 | -58.84 | 1 | 3 | -1 | 52 | 240.282 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC4-1-E | Histone Deacetylase 4 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4500 | 0.42 | Binding ≤ 10μM |
| HDAC5-1-E | Histone Deacetylase 5 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1200 | 0.46 | Binding ≤ 10μM |
| HDAC7-3-E | Histone Deacetylase 7 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 4800 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC4_HUMAN | P56524 | Histone Deacetylase 4, Human | 4500 | 0.42 | Binding ≤ 10μM |
| HDAC5_HUMAN | Q9UQL6 | Histone Deacetylase 5, Human | 1200 | 0.46 | Binding ≤ 10μM |
| HDAC7_HUMAN | Q8WUI4 | Histone Deacetylase 7, Human | 4800 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants | |
| Constitutive Signaling by NOTCH1 PEST Domain Mutants | |
| NOTCH1 Intracellular Domain Regulates Transcription |
