| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 21 | No |
| 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) | -0.47 | 1.87 | -13.46 | 2 | 6 | 0 | 81 | 326.399 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | NRP10_ASPFU | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FNTA-1-E | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1100 | 0.40 | Binding ≤ 10μM |
| FNTB-1-E | Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1100 | 0.40 | Binding ≤ 10μM |
| ILVB-1-F | Acetolactate Synthase Catalytic Subunit, Mitochondrial (cluster #1 Of 1), Fungal | Fungi | 200 | 0.45 | Binding ≤ 10μM |
| Z50420-2-O | Trypanosoma Brucei Brucei (cluster #2 Of 7), Other | Other | 10 | 0.53 | Functional ≤ 10μM |
| Z50426-6-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #6 Of 9), Other | Other | 3600 | 0.36 | Functional ≤ 10μM |
| Z50442-2-O | Candida Albicans (cluster #2 Of 4), Other | Other | 3100 | 0.37 | Functional ≤ 10μM |
| Z50476-1-O | Tetrahymena Pyriformis (cluster #1 Of 1), Other | Other | 380 | 0.43 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 3 | 0.57 | Functional ≤ 10μM |
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 7), Other | Other | 150 | 0.45 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 2450 | 0.37 | Functional ≤ 10μM |
| Z81057-1-O | HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 5), Other | Other | 123 | 0.46 | ADME/T ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 2), Other | Other | 1000 | 0.40 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ILVB_YEAST | P07342 | Acetolactate Synthase Catalytic Subunit, Mitochondrial, Yeast | 200 | 0.45 | Binding ≤ 1μM |
| ILVB_YEAST | P07342 | Acetolactate Synthase Catalytic Subunit, Mitochondrial, Yeast | 200 | 0.45 | Binding ≤ 10μM |
| FNTB_HUMAN | P49356 | Protein Farnesyltransferase Beta Subunit, Human | 1100 | 0.40 | Binding ≤ 10μM |
| FNTA_HUMAN | P49354 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human | 1100 | 0.40 | Binding ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 3 | 0.57 | Functional ≤ 10μM |
| Z50442 | Z50442 | Candida Albicans | 3100 | 0.37 | Functional ≤ 10μM |
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 150 | 0.45 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 2450 | 0.37 | Functional ≤ 10μM |
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 3600 | 0.36 | Functional ≤ 10μM |
| Z50476 | Z50476 | Tetrahymena Pyriformis | 380 | 0.43 | Functional ≤ 10μM |
| Z50420 | Z50420 | Trypanosoma Brucei Brucei | 10 | 0.53 | Functional ≤ 10μM |
| Z81057 | Z81057 | HUVEC (Umbilical Vein Endothelial Cells) | 123 | 0.46 | ADME/T ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 1000 | 0.40 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Apoptotic cleavage of cellular proteins | |
| Inactivation, recovery and regulation of the phototransduction cascade |
