| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2008 | 42 | No |
Popular Name: [[(2S)-2-hydroxyhexyl]-methyl-amino]-methoxy-methyl-BLAHone [[(2S)-2-hydroxyhexyl]-methyl-am…
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) | 5.43 | 10.64 | -40.22 | 3 | 8 | 1 | 82 | 567.71 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR-1-E | Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1300 | 0.20 | Binding ≤ 10μM |
| KAPCA-1-E | CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic | Eukaryotes | 360 | 0.21 | Binding ≤ 10μM |
| KAPCB-1-E | CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 360 | 0.21 | Binding ≤ 10μM |
| KAPCG-1-E | CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 360 | 0.21 | Binding ≤ 10μM |
| KPCA-1-E | Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic | Eukaryotes | 140 | 0.23 | Binding ≤ 10μM |
| KPCB-1-E | Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 140 | 0.23 | Binding ≤ 10μM |
| KPCD-1-E | Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 140 | 0.23 | Binding ≤ 10μM |
| KPCD1-2-E | Protein Kinase C Mu (cluster #2 Of 3), Eukaryotic | Eukaryotes | 140 | 0.23 | Binding ≤ 10μM |
| KPCD3-2-E | Protein Kinase C Nu (cluster #2 Of 3), Eukaryotic | Eukaryotes | 140 | 0.23 | Binding ≤ 10μM |
| KPCE-1-E | Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic | Eukaryotes | 140 | 0.23 | Binding ≤ 10μM |
| KPCG-1-E | Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic | Eukaryotes | 140 | 0.23 | Binding ≤ 10μM |
| KPCI-2-E | Protein Kinase C Iota (cluster #2 Of 3), Eukaryotic | Eukaryotes | 140 | 0.23 | Binding ≤ 10μM |
| KPCL-2-E | Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic | Eukaryotes | 140 | 0.23 | Binding ≤ 10μM |
| KPCT-1-E | Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic | Eukaryotes | 140 | 0.23 | Binding ≤ 10μM |
| KPCZ-1-E | Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic | Eukaryotes | 140 | 0.23 | Binding ≤ 10μM |
| PHKG1-1-E | Phosphorylase Kinase Gamma Subunit 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 50 | 0.24 | Binding ≤ 10μM |
| PHKG2-1-E | Phosphorylase Kinase Gamma Subunit 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 50 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KAPCA_HUMAN | P17612 | CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Human | 360 | 0.21 | Binding ≤ 1μM |
| KAPCB_HUMAN | P22694 | CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Human | 360 | 0.21 | Binding ≤ 1μM |
| KAPCG_HUMAN | P22612 | CAMP-dependent Protein Kinase, Gamma Catalytic Subunit, Human | 360 | 0.21 | Binding ≤ 1μM |
| PHKG1_HUMAN | Q16816 | Phosphorylase Kinase Gamma Subunit 1, Human | 50 | 0.24 | Binding ≤ 1μM |
| PHKG2_HUMAN | P15735 | Phosphorylase Kinase Gamma Subunit 2, Human | 50 | 0.24 | Binding ≤ 1μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 140 | 0.23 | Binding ≤ 1μM |
| KPCB_HUMAN | P05771 | Protein Kinase C Beta, Human | 140 | 0.23 | Binding ≤ 1μM |
| KPCD_HUMAN | Q05655 | Protein Kinase C Delta, Human | 140 | 0.23 | Binding ≤ 1μM |
| KPCE_HUMAN | Q02156 | Protein Kinase C Epsilon, Human | 140 | 0.23 | Binding ≤ 1μM |
| KPCL_HUMAN | P24723 | Protein Kinase C Eta, Human | 140 | 0.23 | Binding ≤ 1μM |
| KPCG_HUMAN | P05129 | Protein Kinase C Gamma, Human | 140 | 0.23 | Binding ≤ 1μM |
| KPCI_HUMAN | P41743 | Protein Kinase C Iota, Human | 140 | 0.23 | Binding ≤ 1μM |
| KPCD1_HUMAN | Q15139 | Protein Kinase C Mu, Human | 140 | 0.23 | Binding ≤ 1μM |
| KPCD3_HUMAN | O94806 | Protein Kinase C Nu, Human | 140 | 0.23 | Binding ≤ 1μM |
| KPCT_HUMAN | Q04759 | Protein Kinase C Theta, Human | 140 | 0.23 | Binding ≤ 1μM |
| KPCZ_HUMAN | Q05513 | Protein Kinase C Zeta, Human | 140 | 0.23 | Binding ≤ 1μM |
| KAPCA_HUMAN | P17612 | CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Human | 360 | 0.21 | Binding ≤ 10μM |
| KAPCB_HUMAN | P22694 | CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Human | 360 | 0.21 | Binding ≤ 10μM |
| KAPCG_HUMAN | P22612 | CAMP-dependent Protein Kinase, Gamma Catalytic Subunit, Human | 360 | 0.21 | Binding ≤ 10μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 1300 | 0.20 | Binding ≤ 10μM |
| PHKG1_HUMAN | Q16816 | Phosphorylase Kinase Gamma Subunit 1, Human | 50 | 0.24 | Binding ≤ 10μM |
| PHKG2_HUMAN | P15735 | Phosphorylase Kinase Gamma Subunit 2, Human | 50 | 0.24 | Binding ≤ 10μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 140 | 0.23 | Binding ≤ 10μM |
| KPCB_HUMAN | P05771 | Protein Kinase C Beta, Human | 140 | 0.23 | Binding ≤ 10μM |
| KPCD_HUMAN | Q05655 | Protein Kinase C Delta, Human | 140 | 0.23 | Binding ≤ 10μM |
| KPCE_HUMAN | Q02156 | Protein Kinase C Epsilon, Human | 140 | 0.23 | Binding ≤ 10μM |
| KPCL_HUMAN | P24723 | Protein Kinase C Eta, Human | 140 | 0.23 | Binding ≤ 10μM |
| KPCG_HUMAN | P05129 | Protein Kinase C Gamma, Human | 140 | 0.23 | Binding ≤ 10μM |
| KPCI_HUMAN | P41743 | Protein Kinase C Iota, Human | 140 | 0.23 | Binding ≤ 10μM |
| KPCD1_HUMAN | Q15139 | Protein Kinase C Mu, Human | 140 | 0.23 | Binding ≤ 10μM |
| KPCD3_HUMAN | O94806 | Protein Kinase C Nu, Human | 140 | 0.23 | Binding ≤ 10μM |
| KPCT_HUMAN | Q04759 | Protein Kinase C Theta, Human | 140 | 0.23 | Binding ≤ 10μM |
| KPCZ_HUMAN | Q05513 | Protein Kinase C Zeta, Human | 140 | 0.23 | 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 | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CREB phosphorylation through the activation of Adenylate Cyclase | |
| DAG and IP3 signaling | |
| DARPP-32 events | |
| Depolymerisation of the Nuclear Lamina | |
| Disinhibition of SNARE formation | |
| Downstream TCR signaling | |
| Effects of PIP2 hydrolysis | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| Factors involved in megakaryocyte development and platelet production | |
| FCERI mediated NF-kB activation | |
| G alpha (z) signalling events | |
| GAB1 signalosome | |
| Glucagon-like Peptide-1 (GLP1) regulates insulin secretion | |
| Gluconeogenesis | |
| Glycogen breakdown (glycogenolysis) | |
| GPVI-mediated activation cascade | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| 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 | |
| Netrin-1 signaling | |
| p75NTR recruits signalling complexes | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PKA activation | |
| PKA activation in glucagon signalling | |
| PKA-mediated phosphorylation of CREB | |
| PKA-mediated phosphorylation of key metabolic factors | |
| PLCG1 events in ERBB2 signaling | |
| 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 | |
| SHC1 events in EGFR signaling | |
| SHC1 events in ERBB2 signaling | |
| Signal transduction by L1 | |
| Signaling by constitutively active EGFR | |
| Signaling by EGFR | |
| Signaling by ERBB2 | |
| Signaling by ERBB4 | |
| Signaling by SCF-KIT | |
| Sphingolipid de novo biosynthesis | |
| Syndecan interactions | |
| TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) | |
| Tight junction interactions | |
| 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 |
