| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 23 | No |
Popular Name: ST-3050 ST-3050
None
| 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) | 1.12 | 2.4 | -16.39 | 2 | 7 | 0 | 83 | 319.361 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 3.61 | -57.79 | 1 | 7 | -1 | 86 | 318.353 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.12 | 4.68 | -47.52 | 3 | 7 | 1 | 85 | 320.369 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDA10-1-E | Histone Deacetylase 10 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 7840 | 0.31 | Binding ≤ 10μM |
| HDA11-1-E | Histone Deacetylase 11 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3060 | 0.34 | Binding ≤ 10μM |
| HDAC1-2-E | Histone Deacetylase 1 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 3060 | 0.34 | Binding ≤ 10μM |
| HDAC3-1-E | Histone Deacetylase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4080 | 0.33 | Binding ≤ 10μM |
| HDAC5-1-E | Histone Deacetylase 5 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 7360 | 0.31 | Binding ≤ 10μM |
| HDAC6-1-E | Histone Deacetylase 6 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 303 | 0.40 | Binding ≤ 10μM |
| HDAC8-2-E | Histone Deacetylase 8 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 235 | 0.40 | Binding ≤ 10μM |
| Z80928-6-O | HCT-116 (Colon Carcinoma Cells) (cluster #6 Of 9), Other | Other | 1800 | 0.35 | Functional ≤ 10μM |
| Z81024-5-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #5 Of 8), Other | Other | 2900 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC6_HUMAN | Q9UBN7 | Histone Deacetylase 6, Human | 303 | 0.40 | Binding ≤ 1μM |
| HDAC8_HUMAN | Q9BY41 | Histone Deacetylase 8, Human | 235 | 0.40 | Binding ≤ 1μM |
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 3060 | 0.34 | Binding ≤ 10μM |
| HDA10_HUMAN | Q969S8 | Histone Deacetylase 10, Human | 7840 | 0.31 | Binding ≤ 10μM |
| HDA11_HUMAN | Q96DB2 | Histone Deacetylase 11, Human | 3060 | 0.34 | Binding ≤ 10μM |
| HDAC3_HUMAN | O15379 | Histone Deacetylase 3, Human | 4080 | 0.33 | Binding ≤ 10μM |
| HDAC5_HUMAN | Q9UQL6 | Histone Deacetylase 5, Human | 7360 | 0.31 | Binding ≤ 10μM |
| HDAC6_HUMAN | Q9UBN7 | Histone Deacetylase 6, Human | 303 | 0.40 | Binding ≤ 10μM |
| HDAC8_HUMAN | Q9BY41 | Histone Deacetylase 8, Human | 235 | 0.40 | Binding ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 1800 | 0.35 | Functional ≤ 10μM |
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 2900 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| BMAL1:CLOCK,NPAS2 activates circadian gene expression | |
| Circadian Clock | |
| 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 | |
| PPARA activates gene expression | |
| Regulation of lipid metabolism by Peroxisome proliferator-activated receptor alp | |
| repression of WNT target genes | |
| REV-ERBA represses gene expression | |
| RNA Polymerase I Transcription Initiation | |
| RORA activates circadian gene expression | |
| SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription | |
| Transcriptional activation of mitochondrial biogenesis | |
| Transcriptional regulation of white adipocyte differentiation |
No pre-computed analogs available. Try a structural similarity search.