| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 21 | No |
Popular Name: methyl methyl
| 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) | 1.74 | 3.95 | -16.96 | 3 | 7 | 0 | 105 | 302.371 | 11 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 5.17 | -57.67 | 2 | 7 | -1 | 108 | 301.363 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| B1WBY8-1-E | Histone Deacetylase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 380 | 0.43 | Binding ≤ 10μM |
| HDAC1-1-E | Histone Deacetylase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 380 | 0.43 | Binding ≤ 10μM |
| HDAC3-2-E | Histone Deacetylase 3 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 380 | 0.43 | Binding ≤ 10μM |
| HDAC4-2-E | Histone Deacetylase 4 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 380 | 0.43 | Binding ≤ 10μM |
| HDAC7-2-E | Histone Deacetylase 7 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 380 | 0.43 | Binding ≤ 10μM |
| Q5RJZ2-1-E | Histone Deacetylase 5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 380 | 0.43 | Binding ≤ 10μM |
| Q94F81-1-E | Histone Deacetylase HD2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 900 | 0.40 | Binding ≤ 10μM |
| Q99P97-1-E | Histone Deacetylase 6 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 380 | 0.43 | Binding ≤ 10μM |
| Z80857-1-O | Friend Leukemia Cell Line (cluster #1 Of 2), Other | Other | 6200 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC1_RAT | Q4QQW4 | Histone Deacetylase 1, Rat | 380 | 0.43 | Binding ≤ 1μM |
| B1WBY8_RAT | B1WBY8 | Histone Deacetylase 2, Rat | 380 | 0.43 | Binding ≤ 1μM |
| HDAC3_RAT | Q6P6W3 | Histone Deacetylase 3, Rat | 380 | 0.43 | Binding ≤ 1μM |
| HDAC4_RAT | Q99P99 | Histone Deacetylase 4, Rat | 380 | 0.43 | Binding ≤ 1μM |
| Q5RJZ2_RAT | Q5RJZ2 | Histone Deacetylase 5, Rat | 380 | 0.43 | Binding ≤ 1μM |
| Q99P97_RAT | Q99P97 | Histone Deacetylase 6, Rat | 380 | 0.43 | Binding ≤ 1μM |
| HDAC7_RAT | Q99P96 | Histone Deacetylase 7, Rat | 380 | 0.43 | Binding ≤ 1μM |
| Q94F81_MAIZE | Q94F81 | Histone Deacetylase HD2, Maize | 900 | 0.40 | Binding ≤ 1μM |
| HDAC1_RAT | Q4QQW4 | Histone Deacetylase 1, Rat | 380 | 0.43 | Binding ≤ 10μM |
| B1WBY8_RAT | B1WBY8 | Histone Deacetylase 2, Rat | 380 | 0.43 | Binding ≤ 10μM |
| HDAC3_RAT | Q6P6W3 | Histone Deacetylase 3, Rat | 380 | 0.43 | Binding ≤ 10μM |
| HDAC4_RAT | Q99P99 | Histone Deacetylase 4, Rat | 380 | 0.43 | Binding ≤ 10μM |
| Q5RJZ2_RAT | Q5RJZ2 | Histone Deacetylase 5, Rat | 380 | 0.43 | Binding ≤ 10μM |
| Q99P97_RAT | Q99P97 | Histone Deacetylase 6, Rat | 380 | 0.43 | Binding ≤ 10μM |
| HDAC7_RAT | Q99P96 | Histone Deacetylase 7, Rat | 380 | 0.43 | Binding ≤ 10μM |
| Q94F81_MAIZE | Q94F81 | Histone Deacetylase HD2, Maize | 900 | 0.40 | Binding ≤ 10μM |
| Z80857 | Z80857 | Friend Leukemia Cell Line | 6200 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants | |
| Constitutive Signaling by NOTCH1 PEST Domain Mutants | |
| Factors involved in megakaryocyte development and platelet production | |
| HDACs deacetylate histones | |
| NoRC negatively regulates rRNA expression | |
| NOTCH1 Intracellular Domain Regulates Transcription | |
| p75NTR negatively regulates cell cycle via SC1 | |
| RNA Polymerase I Transcription Initiation |
