| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 44 | 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) | 2.37 | 9.8 | -22.81 | 3 | 10 | 0 | 137 | 602.732 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC1-1-E | Histone Deacetylase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 820 | 0.19 | Binding ≤ 10μM |
| Q94F81-1-E | Histone Deacetylase HD2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 820 | 0.19 | Binding ≤ 1μM |
| Q94F81_MAIZE | Q94F81 | Histone Deacetylase HD2, Maize | 10 | 0.25 | Binding ≤ 1μM |
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 820 | 0.19 | Binding ≤ 10μM |
| Q94F81_MAIZE | Q94F81 | Histone Deacetylase HD2, Maize | 10 | 0.25 | Binding ≤ 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 | |
| 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 |
![1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-diquinone](http://zinc12.docking.org/img/rings/93492.gif)
![3,6-dibenzyl-9-[6-keto-6-(oxiran-2-yl)hexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-diquinone](http://zinc12.docking.org/img/rings/93589.gif)
