| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 25 | No |
Popular Name: N-[4-(3-aminophenyl)thiazol-2-yl]-8-(hydroxyamino)-8-oxo-octanamide N-[4-(3-aminophenyl)thiazol-2-yl…
| 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) | 2.25 | 4.39 | -21.5 | 5 | 7 | 0 | 117 | 362.455 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC1-2-E | Histone Deacetylase 1 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 4 | 0.47 | Binding ≤ 10μM |
| HDAC6-1-E | Histone Deacetylase 6 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3 | 0.48 | Binding ≤ 10μM |
| Z50136-1-O | Plasmodium Falciparum (isolate FcB1 / Columbia) (cluster #1 Of 3), Other | Other | 1 | 0.50 | Functional ≤ 10μM |
| Z50425-17-O | Plasmodium Falciparum (cluster #17 Of 22), Other | Other | 2 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 4 | 0.47 | Binding ≤ 1μM |
| HDAC6_HUMAN | Q9UBN7 | Histone Deacetylase 6, Human | 3 | 0.48 | Binding ≤ 1μM |
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 4 | 0.47 | Binding ≤ 10μM |
| HDAC6_HUMAN | Q9UBN7 | Histone Deacetylase 6, Human | 3 | 0.48 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 0.59 | 0.52 | Functional ≤ 10μM |
| Z50136 | Z50136 | Plasmodium Falciparum (isolate FcB1 / Columbia) | 15 | 0.44 | 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 |
