| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 40 | No |
Popular Name: Balanol Balanol
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) | 3.01 | 3.03 | -89.81 | 7 | 12 | 0 | 210 | 550.52 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.57e-02 g/l | DrugBank-experimental |
| PUBCHEM_PATENT_ID | EP0664706A1; EP0687249A1; EP0758312A1; EP0758312B1; EP0783292A1; EP0802190A1; EP0817765A1; EP0880503A1; EP0912535A1; EP0914116A1; EP0914116B1; EP1054998A1; US5554608; US5665890; US5795909; US5902882; US5916910; US5919815; US5929232; US5997875; US6013646 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AKAP1-1-E | Protein Kinase A Anchoring Protein 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 60 | 0.25 | Binding ≤ 10μM |
| AKAP2-1-E | Protein Kinase A Anchoring Protein 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 60 | 0.25 | Binding ≤ 10μM |
| KAPCA-1-E | CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic | Eukaryotes | 790 | 0.21 | Binding ≤ 10μM |
| KAPCA-1-E | CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic | Eukaryotes | 5200 | 0.18 | Binding ≤ 10μM |
| KAPCB-1-E | CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 790 | 0.21 | Binding ≤ 10μM |
| KAPCB-1-E | CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5200 | 0.18 | Binding ≤ 10μM |
| KAPCG-1-E | CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 790 | 0.21 | Binding ≤ 10μM |
| KAPCG-1-E | CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5200 | 0.18 | Binding ≤ 10μM |
| KPCA-1-E | Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic | Eukaryotes | 67 | 0.25 | Binding ≤ 10μM |
| KPCA-1-E | Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic | Eukaryotes | 70 | 0.25 | Binding ≤ 10μM |
| KPCA-1-E | Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic | Eukaryotes | 74 | 0.25 | Binding ≤ 10μM |
| KPCA-1-E | Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic | Eukaryotes | 3000 | 0.19 | Binding ≤ 10μM |
| KPCB-1-E | Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 30 | 0.26 | Binding ≤ 10μM |
| KPCB-1-E | Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 44 | 0.26 | Binding ≤ 10μM |
| KPCB-1-E | Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 80 | 0.25 | Binding ≤ 10μM |
| KPCB-1-E | Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 880 | 0.21 | Binding ≤ 10μM |
| KPCD-1-E | Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 32 | 0.26 | Binding ≤ 10μM |
| KPCD-1-E | Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 50 | 0.26 | Binding ≤ 10μM |
| KPCD-1-E | Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 420 | 0.22 | Binding ≤ 10μM |
| KPCE-1-E | Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic | Eukaryotes | 38 | 0.26 | Binding ≤ 10μM |
| KPCE-1-E | Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic | Eukaryotes | 40 | 0.26 | Binding ≤ 10μM |
| KPCE-1-E | Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic | Eukaryotes | 49 | 0.26 | Binding ≤ 10μM |
| KPCE-1-E | Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic | Eukaryotes | 1000 | 0.21 | Binding ≤ 10μM |
| KPCG-1-E | Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic | Eukaryotes | 30 | 0.26 | Binding ≤ 10μM |
| KPCG-1-E | Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic | Eukaryotes | 34 | 0.26 | Binding ≤ 10μM |
| KPCG-1-E | Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic | Eukaryotes | 400 | 0.22 | Binding ≤ 10μM |
| KPCL-2-E | Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic | Eukaryotes | 3 | 0.30 | Binding ≤ 10μM |
| KPCL-2-E | Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic | Eukaryotes | 22 | 0.27 | Binding ≤ 10μM |
| KPCL-2-E | Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic | Eukaryotes | 260 | 0.23 | Binding ≤ 10μM |
| KPCZ-1-E | Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic | Eukaryotes | 3500 | 0.19 | Binding ≤ 10μM |
| KPCZ-1-E | Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic | Eukaryotes | 3500 | 0.19 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KAPCA_HUMAN | P17612 | CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Human | 40 | 0.26 | Binding ≤ 1μM |
| KAPCB_BOVIN | P05131 | CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Bovin | 40 | 0.26 | Binding ≤ 1μM |
| KAPCB_HUMAN | P22694 | CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Human | 40 | 0.26 | Binding ≤ 1μM |
| KAPCG_HUMAN | P22612 | CAMP-dependent Protein Kinase, Gamma Catalytic Subunit, Human | 40 | 0.26 | Binding ≤ 1μM |
| AKAP1_HUMAN | Q92667 | Protein Kinase A Anchoring Protein 1, Human | 60 | 0.25 | Binding ≤ 1μM |
| AKAP2_HUMAN | Q9Y2D5 | Protein Kinase A Anchoring Protein 2, Human | 60 | 0.25 | Binding ≤ 1μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 74 | 0.25 | Binding ≤ 1μM |
| KPCB_HUMAN | P05771 | Protein Kinase C Beta, Human | 32 | 0.26 | Binding ≤ 1μM |
| KPCD_HUMAN | Q05655 | Protein Kinase C Delta, Human | 32 | 0.26 | Binding ≤ 1μM |
| KPCE_HUMAN | Q02156 | Protein Kinase C Epsilon, Human | 49 | 0.26 | Binding ≤ 1μM |
| KPCL_HUMAN | P24723 | Protein Kinase C Eta, Human | 22 | 0.27 | Binding ≤ 1μM |
| KPCG_HUMAN | P05129 | Protein Kinase C Gamma, Human | 34 | 0.26 | Binding ≤ 1μM |
| KAPCA_HUMAN | P17612 | CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Human | 5200 | 0.18 | Binding ≤ 10μM |
| KAPCB_HUMAN | P22694 | CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Human | 5200 | 0.18 | Binding ≤ 10μM |
| KAPCB_BOVIN | P05131 | CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Bovin | 40 | 0.26 | Binding ≤ 10μM |
| KAPCG_HUMAN | P22612 | CAMP-dependent Protein Kinase, Gamma Catalytic Subunit, Human | 5200 | 0.18 | Binding ≤ 10μM |
| AKAP1_HUMAN | Q92667 | Protein Kinase A Anchoring Protein 1, Human | 60 | 0.25 | Binding ≤ 10μM |
| AKAP2_HUMAN | Q9Y2D5 | Protein Kinase A Anchoring Protein 2, Human | 60 | 0.25 | Binding ≤ 10μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 74 | 0.25 | Binding ≤ 10μM |
| KPCB_HUMAN | P05771 | Protein Kinase C Beta, Human | 32 | 0.26 | Binding ≤ 10μM |
| KPCD_HUMAN | Q05655 | Protein Kinase C Delta, Human | 32 | 0.26 | Binding ≤ 10μM |
| KPCE_HUMAN | Q02156 | Protein Kinase C Epsilon, Human | 49 | 0.26 | Binding ≤ 10μM |
| KPCL_HUMAN | P24723 | Protein Kinase C Eta, Human | 22 | 0.27 | Binding ≤ 10μM |
| KPCG_HUMAN | P05129 | Protein Kinase C Gamma, Human | 34 | 0.26 | Binding ≤ 10μM |
| KPCZ_HUMAN | Q05513 | Protein Kinase C Zeta, Human | 3500 | 0.19 | 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 | |
| CREB phosphorylation through the activation of Adenylate Cyclase | |
| DAG and IP3 signaling | |
| DARPP-32 events | |
| Depolymerisation of the Nuclear Lamina | |
| Disinhibition of SNARE formation | |
| Effects of PIP2 hydrolysis | |
| EGFR Transactivation by Gastrin | |
| Factors involved in megakaryocyte development and platelet production | |
| G alpha (z) signalling events | |
| Glucagon-like Peptide-1 (GLP1) regulates insulin secretion | |
| Gluconeogenesis | |
| GPVI-mediated activation cascade | |
| Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis | |
| HuR stabilizes mRNA | |
| Inactivation, recovery and regulation of the phototransduction cascade | |
| Interferon gamma signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| PKA activation | |
| PKA activation in glucagon signalling | |
| PKA-mediated phosphorylation of CREB | |
| PKA-mediated phosphorylation of key metabolic factors | |
| Rap1 signalling | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Regulation of insulin secretion | |
| Regulation of KIT signaling | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Response to elevated platelet cytosolic Ca2+ | |
| Role of phospholipids in phagocytosis | |
| Signaling by SCF-KIT | |
| Syndecan interactions | |
| TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) | |
| Trafficking of GluR2-containing AMPA receptors | |
| Vasopressin regulates renal water homeostasis via Aquaporins | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation | |
| WNT5A-dependent internalization of FZD4 |
No pre-computed analogs available. Try a structural similarity search.