| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 37 | 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) | 4.06 | 9.11 | -72.05 | 7 | 8 | 1 | 135 | 503.623 | 13 | ↓ |
| Mid Mid (pH 6-8) | 4.06 | 8.8 | -29.03 | 6 | 8 | 0 | 134 | 502.615 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDA10-1-E | Histone Deacetylase 10 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 46 | 0.28 | Binding ≤ 10μM |
| HDAC1-1-E | Histone Deacetylase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 41 | 0.28 | Binding ≤ 10μM |
| HDAC2-1-E | Histone Deacetylase 2 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 156 | 0.26 | Binding ≤ 10μM |
| HDAC6-1-E | Histone Deacetylase 6 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8 | 0.31 | Binding ≤ 10μM |
| HDAC8-1-E | Histone Deacetylase 8 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1600 | 0.22 | Binding ≤ 10μM |
| Z50136-2-O | Plasmodium Falciparum (isolate FcB1 / Columbia) (cluster #2 Of 3), Other | Other | 95 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 40.9 | 0.28 | Binding ≤ 1μM |
| HDA10_HUMAN | Q969S8 | Histone Deacetylase 10, Human | 46.1 | 0.28 | Binding ≤ 1μM |
| HDAC2_HUMAN | Q92769 | Histone Deacetylase 2, Human | 156 | 0.26 | Binding ≤ 1μM |
| HDAC6_HUMAN | Q9UBN7 | Histone Deacetylase 6, Human | 7.5 | 0.31 | Binding ≤ 1μM |
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 40.9 | 0.28 | Binding ≤ 10μM |
| HDA10_HUMAN | Q969S8 | Histone Deacetylase 10, Human | 46.1 | 0.28 | Binding ≤ 10μM |
| HDAC2_HUMAN | Q92769 | Histone Deacetylase 2, Human | 156 | 0.26 | Binding ≤ 10μM |
| HDAC6_HUMAN | Q9UBN7 | Histone Deacetylase 6, Human | 7.5 | 0.31 | Binding ≤ 10μM |
| HDAC8_HUMAN | Q9BY41 | Histone Deacetylase 8, Human | 1600 | 0.22 | Binding ≤ 10μM |
| Z50136 | Z50136 | Plasmodium Falciparum (isolate FcB1 / Columbia) | 95 | 0.27 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants | |
| Constitutive Signaling by NOTCH1 PEST Domain Mutants | |
| deactivation of the beta-catenin transactivating complex | |
| Downregulation of SMAD2/3:SMAD4 transcriptional activity | |
| Factors involved in megakaryocyte development and platelet production | |
| formation of the beta-catenin:TCF transactivating complex | |
| G0 and Early G1 | |
| HDACs deacetylate histones | |
| HSF1 activation | |
| NoRC negatively regulates rRNA expression | |
| NOTCH1 Intracellular Domain Regulates Transcription | |
| p75NTR negatively regulates cell cycle via SC1 | |
| repression of WNT target genes | |
| RNA Polymerase I Transcription Initiation | |
| SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription |
