| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 34 | 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) | -2.72 | 3.64 | -103.81 | 7 | 10 | 0 | 172 | 493.63 | 12 | ↓ |
| Hi High (pH 8-9.5) | -2.72 | 4.11 | -101.92 | 7 | 10 | -1 | 172 | 492.622 | 12 | ↓ |
| Hi High (pH 8-9.5) | -2.72 | 3.32 | -68.11 | 6 | 10 | -1 | 171 | 492.622 | 12 | ↓ |
| Hi High (pH 8-9.5) | -2.72 | 5.19 | -111.72 | 7 | 10 | -1 | 175 | 492.622 | 12 | ↓ |
| Mid Mid (pH 6-8) | -2.72 | 4.45 | -187.97 | 8 | 10 | 1 | 177 | 494.638 | 12 | ↓ |
| Mid Mid (pH 6-8) | -2.72 | 4.15 | -97.48 | 7 | 10 | 0 | 175 | 493.63 | 12 | ↓ |
| 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 | 4 | 0.35 | Binding ≤ 10μM |
| FNTB-1-E | Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4 | 0.35 | Binding ≤ 10μM |
| PGTB1-1-E | Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.25 | Binding ≤ 10μM |
| Z80951-1-O | NIH3T3 (Fibroblasts) (cluster #1 Of 4), Other | Other | 2000 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGTB1_HUMAN | P53609 | Geranylgeranyl Transferase Type I Beta Subunit, Human | 1000 | 0.25 | Binding ≤ 1μM |
| FNTB_HUMAN | P49356 | Protein Farnesyltransferase Beta Subunit, Human | 4.4 | 0.34 | Binding ≤ 1μM |
| FNTA_HUMAN | P49354 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human | 1000 | 0.25 | Binding ≤ 1μM |
| PGTB1_HUMAN | P53609 | Geranylgeranyl Transferase Type I Beta Subunit, Human | 1000 | 0.25 | Binding ≤ 10μM |
| FNTB_HUMAN | P49356 | Protein Farnesyltransferase Beta Subunit, Human | 4.4 | 0.34 | Binding ≤ 10μM |
| FNTA_HUMAN | P49354 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human | 1000 | 0.25 | Binding ≤ 10μM |
| Z80951 | Z80951 | NIH3T3 (Fibroblasts) | 2000 | 0.23 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Apoptotic cleavage of cellular proteins | |
| Inactivation, recovery and regulation of the phototransduction cascade |
