| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2005 | 34 | Yes |
Popular Name: Epothilone D Epothilone D
Find On: PubMed — Wikipedia — Google
CAS Number: 189453-10-9
| 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) | 4.50 | -0.04 | -11.87 | 2 | 6 | 0 | 96 | 491.694 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50590-1-O | Sus Scrofa (cluster #1 Of 1), Other | Other | 880 | 0.25 | Functional ≤ 10μM |
| Z80064-1-O | CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other | Other | 22 | 0.32 | Functional ≤ 10μM |
| Z80156-2-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other | Other | 8 | 0.33 | Functional ≤ 10μM |
| Z80188-1-O | KB 3-1 (Cervical Epithelial Carcinoma Cells) (cluster #1 Of 2), Other | Other | 3 | 0.35 | Functional ≤ 10μM |
| Z80224-2-O | MCF7 (Breast Carcinoma Cells) (cluster #2 Of 14), Other | Other | 8 | 0.33 | Functional ≤ 10μM |
| Z80466-2-O | SF268 (cluster #2 Of 4), Other | Other | 18 | 0.32 | Functional ≤ 10μM |
| Z80711-2-O | NCI/ADR-RES (Breast Carcinoma Cells) (cluster #2 Of 2), Other | Other | 30 | 0.31 | Functional ≤ 10μM |
| Z81024-3-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #3 Of 8), Other | Other | 8 | 0.33 | Functional ≤ 10μM |
| Z81115-2-O | KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other | Other | 1 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80064 | Z80064 | CCRF-CEM (T-cell Leukemia) | 15 | 0.32 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 10 | 0.33 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 1.44 | 0.36 | Functional ≤ 10μM |
| Z80188 | Z80188 | KB 3-1 (Cervical Epithelial Carcinoma Cells) | 2.7 | 0.35 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 16 | 0.32 | Functional ≤ 10μM |
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 30 | 0.31 | Functional ≤ 10μM |
| Z80711 | Z80711 | NCI/ADR-RES (Breast Carcinoma Cells) | 30 | 0.31 | Functional ≤ 10μM |
| Z80466 | Z80466 | SF268 | 14 | 0.32 | Functional ≤ 10μM |
| Z50590 | Z50590 | Sus Scrofa | 880 | 0.25 | Functional ≤ 10μM |
