| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 25 | 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) | 2.11 | 5.97 | -15.18 | 2 | 6 | 0 | 88 | 341.411 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.11 | 6.25 | -39.38 | 3 | 6 | 1 | 89 | 342.419 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC1-1-E | Histone Deacetylase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 10 | 0.45 | Binding ≤ 10μM |
| HDAC2-1-E | Histone Deacetylase 2 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 10 | 0.45 | Binding ≤ 10μM |
| Z80164-1-O | HT-1080 (Fibrosarcoma Cells) (cluster #1 Of 6), Other | Other | 2900 | 0.31 | Functional ≤ 10μM |
| Z81245-3-O | MDA-MB-435 (Breast Carcinoma Cells) (cluster #3 Of 6), Other | Other | 4000 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 9.5 | 0.45 | Binding ≤ 1μM |
| HDAC2_HUMAN | Q92769 | Histone Deacetylase 2, Human | 9.5 | 0.45 | Binding ≤ 1μM |
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 9.5 | 0.45 | Binding ≤ 10μM |
| HDAC2_HUMAN | Q92769 | Histone Deacetylase 2, Human | 9.5 | 0.45 | Binding ≤ 10μM |
| Z80164 | Z80164 | HT-1080 (Fibrosarcoma Cells) | 2900 | 0.31 | Functional ≤ 10μM |
| Z81245 | Z81245 | MDA-MB-435 (Breast Carcinoma Cells) | 4000 | 0.30 | 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 | |
| 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 |
