| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2005 | 32 | Yes |
| 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 | -6.04 | -128.32 | 5 | 11 | -2 | 193 | 441.444 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PUR2-1-E | GAR Transformylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 60 | 0.32 | Binding ≤ 10μM |
| PUR2-1-E | GAR Transformylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 120 | 0.30 | Binding ≤ 10μM |
| TYSY-1-E | Thymidylate Synthase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 30 | 0.33 | Binding ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 59 | 0.32 | Functional ≤ 10μM |
| Z80064-1-O | CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other | Other | 15 | 0.34 | Functional ≤ 10μM |
| Z80064-1-O | CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other | Other | 16 | 0.34 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 18 | 0.34 | Functional ≤ 10μM |
| Z80285-2-O | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #2 Of 4), Other | Other | 1500 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PUR2_MOUSE | Q64737 | GAR Transformylase, Mouse | 120 | 0.30 | Binding ≤ 1μM |
| PUR2_HUMAN | P22102 | GAR Transformylase, Human | 220 | 0.29 | Binding ≤ 1μM |
| TYSY_MOUSE | P07607 | Thymidylate Synthase, Mouse | 30 | 0.33 | Binding ≤ 1μM |
| PUR2_MOUSE | Q64737 | GAR Transformylase, Mouse | 120 | 0.30 | Binding ≤ 10μM |
| PUR2_HUMAN | P22102 | GAR Transformylase, Human | 220 | 0.29 | Binding ≤ 10μM |
| TYSY_MOUSE | P07607 | Thymidylate Synthase, Mouse | 30 | 0.33 | Binding ≤ 10μM |
| Z80064 | Z80064 | CCRF-CEM (T-cell Leukemia) | 16 | 0.34 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 18 | 0.34 | Functional ≤ 10μM |
| Z80285 | Z80285 | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) | 1500 | 0.25 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 59 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| E2F mediated regulation of DNA replication | |
| G1/S-Specific Transcription | |
| Purine ribonucleoside monophosphate biosynthesis | |
| Pyrimidine biosynthesis |
