| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2010 | 31 | 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) | -1.26 | 9.09 | -86.61 | 4 | 9 | 0 | 131 | 442.545 | 12 | ↓ |
| Hi High (pH 8-9.5) | -1.26 | 9.62 | -79.43 | 4 | 9 | 0 | 131 | 442.545 | 12 | ↓ |
| Mid Mid (pH 6-8) | -1.26 | 9.55 | -63.45 | 3 | 9 | -1 | 130 | 441.537 | 12 | ↓ |
| Mid Mid (pH 6-8) | -1.26 | 8.53 | -60.64 | 3 | 9 | -1 | 130 | 441.537 | 12 | ↓ |
| Mid Mid (pH 6-8) | -1.26 | 9.64 | -79.89 | 4 | 9 | 0 | 131 | 442.545 | 12 | ↓ |
| Mid Mid (pH 6-8) | -1.26 | 9.06 | -60.66 | 3 | 9 | -1 | 130 | 441.537 | 12 | ↓ |
| Lo Low (pH 4.5-6) | -1.26 | 9.63 | -127.19 | 5 | 9 | 1 | 132 | 443.553 | 12 | ↓ |
| Lo Low (pH 4.5-6) | -1.26 | 9.72 | -122.8 | 5 | 9 | 1 | 132 | 443.553 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0817630A1; US5534537; US5578629; WO1996030015A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FNTA-1-E | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 870 | 0.27 | Functional ≤ 10μM |
| FNTB-1-E | Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 870 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FNTB_HUMAN | P49356 | Protein Farnesyltransferase Beta Subunit, Human | 870 | 0.27 | Functional ≤ 10μM |
| FNTA_HUMAN | P49354 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human | 870 | 0.27 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Apoptotic cleavage of cellular proteins | |
| Inactivation, recovery and regulation of the phototransduction cascade |