| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 25 | No |
Popular Name: [(1R,2S)-2-hydroxy-3-sulfanyl-1-(sulfanylmethyl)propyl] [(1R,2S)-2-hydroxy-3-sulfanyl-1-…
| 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) | 1.77 | 4.38 | -10.26 | 1 | 6 | 0 | 78 | 399.515 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 4.91 | -52.41 | 1 | 6 | -1 | 78 | 398.507 | 7 | ↓ |
| 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 | 17 | 0.44 | Binding ≤ 10μM |
| PGTB1-1-E | Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 17 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGTB1_HUMAN | P53609 | Geranylgeranyl Transferase Type I Beta Subunit, Human | 17 | 0.44 | Binding ≤ 1μM |
| FNTA_HUMAN | P49354 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human | 17 | 0.44 | Binding ≤ 1μM |
| PGTB1_HUMAN | P53609 | Geranylgeranyl Transferase Type I Beta Subunit, Human | 17 | 0.44 | Binding ≤ 10μM |
| FNTA_HUMAN | P49354 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human | 17 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Apoptotic cleavage of cellular proteins | |
| Inactivation, recovery and regulation of the phototransduction cascade |
