| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 21 | No |
Popular Name: [5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxyphosphonic [5-(5-fluoro-2,4-dioxo-pyrimidin…
| 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) | -2.38 | -5.54 | -139.88 | 2 | 10 | -2 | 156 | 324.157 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYSY-1-E | Thymidylate Synthase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8 | 0.54 | Binding ≤ 10μM |
| Z80064-1-O | CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other | Other | 6 | 0.55 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 15 | 0.52 | Functional ≤ 10μM |
| Z80208-1-O | L5178Y (Lymphoma Cells) (cluster #1 Of 2), Other | Other | 1 | 0.60 | Functional ≤ 10μM |
| Z81137-1-O | L929 (Fibroblast Cells) (cluster #1 Of 2), Other | Other | 6800 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYSY_MOUSE | P07607 | Thymidylate Synthase, Mouse | 17 | 0.52 | Binding ≤ 1μM |
| TYSY_HUMAN | P04818 | Thymidylate Synthase, Human | 10 | 0.53 | Binding ≤ 1μM |
| TYSY_MOUSE | P07607 | Thymidylate Synthase, Mouse | 17 | 0.52 | Binding ≤ 10μM |
| TYSY_HUMAN | P04818 | Thymidylate Synthase, Human | 10 | 0.53 | Binding ≤ 10μM |
| Z80064 | Z80064 | CCRF-CEM (T-cell Leukemia) | 5.5 | 0.55 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 15 | 0.52 | Functional ≤ 10μM |
| Z80208 | Z80208 | L5178Y (Lymphoma Cells) | 1.4 | 0.59 | Functional ≤ 10μM |
| Z81137 | Z81137 | L929 (Fibroblast Cells) | 6800 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| E2F mediated regulation of DNA replication | |
| G1/S-Specific Transcription | |
| Pyrimidine biosynthesis |
