| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 29 | 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) | 3.23 | 10.12 | -18.34 | 1 | 5 | 0 | 63 | 378.435 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Notes | Novel, very potent PKC inhibitor with high selectivity for the A-group of PKC isotypes (alpha, beta, and gamma), with IC50 values in the 2-10 nM range. Little or no inhibition of the B- and C-groups ; of PKC isotypes, even at much higher concentrations. | Apollo Scientific Bioactives |
| Target | PKC | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KGP1-1-E | CGMP-dependent Protein Kinase 1 Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6200 | 0.25 | Binding ≤ 10μM |
| KPCA-1-E | Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic | Eukaryotes | 4 | 0.41 | Binding ≤ 10μM |
| KPCB-1-E | Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 20 | 0.37 | Binding ≤ 10μM |
| KPCD-1-E | Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 446 | 0.31 | Binding ≤ 10μM |
| KPCE-1-E | Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic | Eukaryotes | 20 | 0.37 | Binding ≤ 10μM |
| KPCG-1-E | Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic | Eukaryotes | 20 | 0.37 | Binding ≤ 10μM |
| KPCL-2-E | Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic | Eukaryotes | 20 | 0.37 | Binding ≤ 10μM |
| KPCT-1-E | Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic | Eukaryotes | 20 | 0.37 | Binding ≤ 10μM |
| KPCZ-1-E | Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic | Eukaryotes | 20 | 0.37 | Binding ≤ 10μM |
| MYLK-1-E | Myosin Light Chain Kinase, Smooth Muscle (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5800 | 0.25 | Binding ≤ 10μM |
| PKD1-1-E | Polycystin-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 62 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PKD1_HUMAN | P98161 | Polycystin-1, Human | 27 | 0.37 | Binding ≤ 1μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 2 | 0.42 | Binding ≤ 1μM |
| KPCA_RAT | P05696 | Protein Kinase C Alpha, Rat | 20 | 0.37 | Binding ≤ 1μM |
| KPCB_RAT | P68403 | Protein Kinase C Beta, Rat | 20 | 0.37 | Binding ≤ 1μM |
| KPCB_HUMAN | P05771 | Protein Kinase C Beta, Human | 2 | 0.42 | Binding ≤ 1μM |
| KPCD_RAT | P09215 | Protein Kinase C Delta, Rat | 20 | 0.37 | Binding ≤ 1μM |
| KPCD_HUMAN | Q05655 | Protein Kinase C Delta, Human | 446 | 0.31 | Binding ≤ 1μM |
| KPCE_RAT | P09216 | Protein Kinase C Epsilon, Rat | 20 | 0.37 | Binding ≤ 1μM |
| KPCL_RAT | Q64617 | Protein Kinase C Eta, Rat | 20 | 0.37 | Binding ≤ 1μM |
| KPCG_RAT | P63319 | Protein Kinase C Gamma, Rat | 20 | 0.37 | Binding ≤ 1μM |
| KPCG_HUMAN | P05129 | Protein Kinase C Gamma, Human | 2 | 0.42 | Binding ≤ 1μM |
| KPCT_RAT | Q9WTQ0 | Protein Kinase C Theta, Rat | 20 | 0.37 | Binding ≤ 1μM |
| KPCZ_RAT | P09217 | Protein Kinase C Zeta, Rat | 20 | 0.37 | Binding ≤ 1μM |
| KGP1_BOVIN | P00516 | CGMP-dependent Protein Kinase 1 Alpha, Bovin | 6200 | 0.25 | Binding ≤ 10μM |
| MYLK_HUMAN | Q15746 | Myosin Light Chain Kinase, Smooth Muscle, Human | 5800 | 0.25 | Binding ≤ 10μM |
| MYLK_CHICK | P11799 | Myosin Light Chain Kinase, Smooth Muscle, Chick | 5800 | 0.25 | Binding ≤ 10μM |
| PKD1_HUMAN | P98161 | Polycystin-1, Human | 27 | 0.37 | Binding ≤ 10μM |
| KPCA_RAT | P05696 | Protein Kinase C Alpha, Rat | 20 | 0.37 | Binding ≤ 10μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 2 | 0.42 | Binding ≤ 10μM |
| KPCB_RAT | P68403 | Protein Kinase C Beta, Rat | 20 | 0.37 | Binding ≤ 10μM |
| KPCB_HUMAN | P05771 | Protein Kinase C Beta, Human | 2 | 0.42 | Binding ≤ 10μM |
| KPCD_HUMAN | Q05655 | Protein Kinase C Delta, Human | 446 | 0.31 | Binding ≤ 10μM |
| KPCD_RAT | P09215 | Protein Kinase C Delta, Rat | 20 | 0.37 | Binding ≤ 10μM |
| KPCE_RAT | P09216 | Protein Kinase C Epsilon, Rat | 20 | 0.37 | Binding ≤ 10μM |
| KPCL_RAT | Q64617 | Protein Kinase C Eta, Rat | 20 | 0.37 | Binding ≤ 10μM |
| KPCG_HUMAN | P05129 | Protein Kinase C Gamma, Human | 2 | 0.42 | Binding ≤ 10μM |
| KPCG_RAT | P63319 | Protein Kinase C Gamma, Rat | 20 | 0.37 | Binding ≤ 10μM |
| KPCT_RAT | Q9WTQ0 | Protein Kinase C Theta, Rat | 20 | 0.37 | Binding ≤ 10μM |
| KPCZ_RAT | P09217 | Protein Kinase C Zeta, Rat | 20 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| Activation of NF-kappaB in B cells | |
| Apoptotic cleavage of cellular proteins | |
| Ca2+ pathway | |
| Calmodulin induced events | |
| cGMP effects | |
| 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 | |
| GPVI-mediated activation cascade | |
| HuR stabilizes mRNA | |
| Inactivation, recovery and regulation of the phototransduction cascade | |
| Interferon gamma signaling | |
| Rap1 signalling | |
| Regulation of KIT signaling | |
| Response to elevated platelet cytosolic Ca2+ | |
| Role of phospholipids in phagocytosis | |
| Signaling by SCF-KIT | |
| Smooth Muscle Contraction | |
| Syndecan interactions | |
| TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) | |
| Trafficking of GluR2-containing AMPA receptors | |
| VEGFR2 mediated cell proliferation | |
| WNT5A-dependent internalization of FZD4 |
