| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 17 | 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) | 0.76 | 3.26 | -35.13 | 6 | 6 | 1 | 108 | 227.251 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.76 | 3.13 | -14.92 | 5 | 6 | 0 | 107 | 226.243 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AURKA-2-E | Serine/threonine-protein Kinase Aurora-A (cluster #2 Of 3), Eukaryotic | Eukaryotes | 390 | 0.53 | Binding ≤ 10μM |
| AURKB-1-E | Serine/threonine-protein Kinase Aurora-B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3480 | 0.45 | Binding ≤ 10μM |
| CDK2-4-E | Cyclin-dependent Kinase 2 (cluster #4 Of 5), Eukaryotic | Eukaryotes | 280 | 0.54 | Binding ≤ 10μM |
| IKKA-2-E | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit (cluster #2 Of 3), Eukaryotic | Eukaryotes | 100 | 0.58 | Binding ≤ 10μM |
| JAK3-2-E | Tyrosine-protein Kinase JAK3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 990 | 0.49 | Binding ≤ 10μM |
| KS6B1-1-E | Ribosomal Protein S6 Kinase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6340 | 0.43 | Binding ≤ 10μM |
| KSYK-1-E | Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4000 | 0.44 | Binding ≤ 10μM |
| M3K5-1-E | Mitogen-activated Protein Kinase Kinase Kinase 5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5690 | 0.43 | Binding ≤ 10μM |
| PDPK1-1-E | 3-phosphoinositide Dependent Protein Kinase-1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 370 | 0.53 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 840 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDPK1_HUMAN | O15530 | 3-phosphoinositide Dependent Protein Kinase-1, Human | 370 | 0.53 | Binding ≤ 1μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 280 | 0.54 | Binding ≤ 1μM |
| IKKA_HUMAN | O15111 | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit, Human | 100 | 0.58 | Binding ≤ 1μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 390 | 0.53 | Binding ≤ 1μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 990 | 0.49 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 840 | 0.50 | Binding ≤ 1μM |
| PDPK1_HUMAN | O15530 | 3-phosphoinositide Dependent Protein Kinase-1, Human | 370 | 0.53 | Binding ≤ 10μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 280 | 0.54 | Binding ≤ 10μM |
| IKKA_HUMAN | O15111 | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit, Human | 100 | 0.58 | Binding ≤ 10μM |
| M3K5_HUMAN | Q99683 | Mitogen-activated Protein Kinase Kinase Kinase 5, Human | 5690 | 0.43 | Binding ≤ 10μM |
| KS6B1_HUMAN | P23443 | Ribosomal Protein S6 Kinase 1, Human | 6340 | 0.43 | Binding ≤ 10μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 390 | 0.53 | Binding ≤ 10μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 3480 | 0.45 | Binding ≤ 10μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 990 | 0.49 | Binding ≤ 10μM |
| KSYK_HUMAN | P43405 | Tyrosine-protein Kinase SYK, Human | 4000 | 0.44 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 840 | 0.50 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of NF-kappaB in B cells | |
| Activation of PKB | |
| Activation of the pre-replicative complex | |
| AKT phosphorylates targets in the cytosol | |
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| CD28 dependent PI3K/Akt signaling | |
| CDK-mediated phosphorylation and removal of Cdc6 | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CTLA4 inhibitory signaling | |
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin A:Cdk2-associated events at S phase entry | |
| Cyclin E associated events during G1/S transition | |
| DAP12 signaling | |
| DNA Damage/Telomere Stress Induced Senescence | |
| Downstream TCR signaling | |
| EPHA-mediated growth cone collapse | |
| Factors involved in megakaryocyte development and platelet production | |
| Fc epsilon receptor (FCERI) signaling | |
| FCERI mediated Ca+2 mobilization | |
| FCERI mediated MAPK activation | |
| FCERI mediated NF-kB activation | |
| FCGR activation | |
| G beta:gamma signalling through PI3Kgamma | |
| G0 and Early G1 | |
| G2 Phase | |
| GPVI-mediated activation cascade | |
| IKK complex recruitment mediated by RIP1 | |
| Integrin alphaIIb beta3 signaling | |
| Integrin cell surface interactions | |
| Interleukin receptor SHC signaling | |
| Interleukin-1 signaling | |
| Interleukin-2 signaling | |
| Interleukin-7 signaling | |
| IRAK1 recruits IKK complex | |
| IRAK1 recruits IKK complex upon TLR7/8 or 9 stimulation | |
| Meiotic recombination | |
| Mitotic Prometaphase | |
| Neurophilin interactions with VEGF and VEGFR | |
| NF-kB activation through FADD/RIP-1 pathway mediated by caspase-8 and -10 | |
| NOD1/2 Signaling Pathway | |
| Orc1 removal from chromatin | |
| Oxidative Stress Induced Senescence | |
| p53-Dependent G1 DNA Damage Response | |
| Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 | |
| PIP3 activates AKT signaling | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Regulation of signaling by CBL | |
| Resolution of Sister Chromatid Cohesion | |
| RIP-mediated NFkB activation via ZBP1 | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Role of phospholipids in phagocytosis | |
| RSK activation | |
| S6K1 signalling | |
| S6K1-mediated signalling | |
| SCF(Skp2)-mediated degradation of p27/p21 | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Separation of Sister Chromatids | |
| TAK1 activates NFkB by phosphorylation and activation of IKKs complex | |
| TRAF6 mediated NF-kB activation | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation | |
| VEGFR2 mediated vascular permeability |
No pre-computed analogs available. Try a structural similarity search.
