| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2007 | 32 | Yes |
Popular Name: 1-[4-(bromo-chloro-BLAHylidene)-1-piperidyl]-2-(4-pyridyl)ethanone 1-[4-(bromo-chloro-BLAHylidene)-…
| 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) | 4.92 | 13.85 | -12.63 | 0 | 4 | 0 | 46 | 508.847 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.92 | 14.03 | -48.99 | 1 | 4 | 1 | 47 | 509.855 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.92 | 14.13 | -38.28 | 1 | 4 | 1 | 47 | 509.855 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.92 | 14.31 | -87.35 | 2 | 4 | 2 | 49 | 510.863 | 2 | ↓ |
| 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 | 60 | 0.32 | Binding ≤ 10μM |
| FNTB-1-E | Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 60 | 0.32 | Binding ≤ 10μM |
| Z80106-1-O | COS-1 (Kidney Cells) (cluster #1 Of 1), Other | Other | 3100 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FNTB_HUMAN | P49356 | Protein Farnesyltransferase Beta Subunit, Human | 60 | 0.32 | Binding ≤ 1μM |
| FNTA_HUMAN | P49354 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human | 60 | 0.32 | Binding ≤ 1μM |
| FNTB_HUMAN | P49356 | Protein Farnesyltransferase Beta Subunit, Human | 60 | 0.32 | Binding ≤ 10μM |
| FNTA_HUMAN | P49354 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human | 60 | 0.32 | Binding ≤ 10μM |
| Z80106 | Z80106 | COS-1 (Kidney Cells) | 3100 | 0.24 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Apoptotic cleavage of cellular proteins | |
| Inactivation, recovery and regulation of the phototransduction cascade |
