| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2011 | 22 | Yes |
None
| 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) | 1.08 | 6.43 | -48.36 | 2 | 5 | 1 | 59 | 292.366 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 5.13 | -8.73 | 1 | 5 | 0 | 54 | 291.358 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.08 | 6.89 | -91.5 | 3 | 5 | 2 | 60 | 293.374 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KPCA-5-E | Protein Kinase C Alpha (cluster #5 Of 6), Eukaryotic | Eukaryotes | 1000 | 0.38 | Binding ≤ 10μM |
| KPCD-1-E | Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 31 | 0.48 | Binding ≤ 10μM |
| PKD1-1-E | Polycystin-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 59 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PKD1_HUMAN | P98161 | Polycystin-1, Human | 59 | 0.46 | Binding ≤ 1μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 1000 | 0.38 | Binding ≤ 1μM |
| KPCD_HUMAN | Q05655 | Protein Kinase C Delta, Human | 31 | 0.48 | Binding ≤ 1μM |
| PKD1_HUMAN | P98161 | Polycystin-1, Human | 2096 | 0.36 | Binding ≤ 10μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 1000 | 0.38 | Binding ≤ 10μM |
| KPCD_HUMAN | Q05655 | Protein Kinase C Delta, Human | 31 | 0.48 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| Apoptotic cleavage of cellular proteins | |
| Ca2+ pathway | |
| Calmodulin induced events | |
| DAG and IP3 signaling | |
| Depolymerisation of the Nuclear Lamina | |
| Disinhibition of SNARE formation | |
| Effects of PIP2 hydrolysis | |
| EGFR Transactivation by Gastrin | |
| G alpha (z) signalling events | |
| HuR stabilizes mRNA | |
| Inactivation, recovery and regulation of the phototransduction cascade | |
| Interferon gamma signaling | |
| Regulation of KIT signaling | |
| Response to elevated platelet cytosolic Ca2+ | |
| Role of phospholipids in phagocytosis | |
| Signaling by SCF-KIT | |
| Syndecan interactions | |
| Trafficking of GluR2-containing AMPA receptors | |
| VEGFR2 mediated cell proliferation | |
| WNT5A-dependent internalization of FZD4 |
No pre-computed analogs available. Try a structural similarity search.
