| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 37 | No |
Popular Name: 2-[1-(2-aminoacetyl)-4-piperidyl]-1-[4-(dibromo-chloro-BLAHyl)-1-piperidyl]ethanone 2-[1-(2-aminoacetyl)-4-piperidyl…
| 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) | 4.69 | 12.69 | -50.4 | 3 | 6 | 1 | 81 | 653.867 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.69 | 12.3 | -13.3 | 2 | 6 | 0 | 80 | 652.859 | 4 | ↓ |
| 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 | 5 | 0.31 | Binding ≤ 10μM |
| FNTB-1-E | Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5 | 0.31 | Binding ≤ 10μM |
| FNTA-1-E | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 30 | 0.28 | Functional ≤ 10μM |
| FNTB-1-E | Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 30 | 0.28 | Functional ≤ 10μM |
| Z80106-1-O | COS-1 (Kidney Cells) (cluster #1 Of 1), Other | Other | 75 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FNTB_HUMAN | P49356 | Protein Farnesyltransferase Beta Subunit, Human | 5.3 | 0.31 | Binding ≤ 1μM |
| FNTA_HUMAN | P49354 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human | 5.3 | 0.31 | Binding ≤ 1μM |
| FNTB_HUMAN | P49356 | Protein Farnesyltransferase Beta Subunit, Human | 5.3 | 0.31 | Binding ≤ 10μM |
| FNTA_HUMAN | P49354 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human | 5.3 | 0.31 | Binding ≤ 10μM |
| Z80106 | Z80106 | COS-1 (Kidney Cells) | 30 | 0.28 | Functional ≤ 10μM |
| FNTB_HUMAN | P49356 | Protein Farnesyltransferase Beta Subunit, Human | 30 | 0.28 | Functional ≤ 10μM |
| FNTA_HUMAN | P49354 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human | 30 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Apoptotic cleavage of cellular proteins | |
| Inactivation, recovery and regulation of the phototransduction cascade |
