| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 29 | No |
Popular Name: 4-[[(2R)-2-(1H-indol-3-ylmethyl)-3,6-dioxo-piperazin-1-yl]methyl]benzenecarbohydroxamic 4-[[(2R)-2-(1H-indol-3-ylmethyl)…
| 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) | 0.85 | 3.7 | -23.17 | 4 | 8 | 0 | 115 | 392.415 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 4.91 | -69.57 | 3 | 8 | -1 | 117 | 391.407 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC2-1-E | Histone Deacetylase 2 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1810 | 0.28 | Binding ≤ 10μM |
| HDAC6-1-E | Histone Deacetylase 6 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 110 | 0.34 | Binding ≤ 10μM |
| HDAC8-1-E | Histone Deacetylase 8 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1210 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC6_HUMAN | Q9UBN7 | Histone Deacetylase 6, Human | 110 | 0.34 | Binding ≤ 1μM |
| HDAC2_HUMAN | Q92769 | Histone Deacetylase 2, Human | 1810 | 0.28 | Binding ≤ 10μM |
| HDAC6_HUMAN | Q9UBN7 | Histone Deacetylase 6, Human | 110 | 0.34 | Binding ≤ 10μM |
| HDAC8_HUMAN | Q9BY41 | Histone Deacetylase 8, Human | 1210 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants | |
| Constitutive Signaling by NOTCH1 PEST Domain Mutants | |
| Factors involved in megakaryocyte development and platelet production | |
| HDACs deacetylate histones | |
| HSF1 activation | |
| NoRC negatively regulates rRNA expression | |
| NOTCH1 Intracellular Domain Regulates Transcription | |
| p75NTR negatively regulates cell cycle via SC1 | |
| RNA Polymerase I Transcription Initiation |
