| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 6th, 2008 | 34 | No |
Popular Name: 1-[4-(dibromo-chloro-BLAHyl)-1-piperidyl]-2-(1-oxidopyridin-1-ium-4-yl)ethanone 1-[4-(dibromo-chloro-BLAHyl)-1-p…
| 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) | 4.63 | 14.79 | -25.39 | 0 | 5 | 0 | 59 | 605.758 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.63 | 14.71 | -63.86 | 1 | 5 | 1 | 60 | 606.766 | 3 | ↓ |
| 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 | 2 | 0.36 | Binding ≤ 10μM |
| FNTB-1-E | Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2 | 0.36 | Binding ≤ 10μM |
| FNTA-1-E | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10 | 0.33 | Functional ≤ 10μM |
| FNTB-1-E | Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10 | 0.33 | Functional ≤ 10μM |
| Z81285-1-O | NIH-H Cell Line (cluster #1 Of 1), Other | Other | 50 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FNTB_HUMAN | P49356 | Protein Farnesyltransferase Beta Subunit, Human | 1.3 | 0.37 | Binding ≤ 1μM |
| FNTA_HUMAN | P49354 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human | 1.3 | 0.37 | Binding ≤ 1μM |
| FNTB_HUMAN | P49356 | Protein Farnesyltransferase Beta Subunit, Human | 1.3 | 0.37 | Binding ≤ 10μM |
| FNTA_HUMAN | P49354 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human | 1.3 | 0.37 | Binding ≤ 10μM |
| Z81285 | Z81285 | NIH-H Cell Line | 50 | 0.30 | Functional ≤ 10μM |
| FNTB_HUMAN | P49356 | Protein Farnesyltransferase Beta Subunit, Human | 10 | 0.33 | Functional ≤ 10μM |
| FNTA_HUMAN | P49354 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human | 10 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Apoptotic cleavage of cellular proteins | |
| Inactivation, recovery and regulation of the phototransduction cascade |
