| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 40 | No |
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) | 5.55 | 9.68 | -19.33 | 5 | 9 | 0 | 123 | 572.975 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.55 | 9.85 | -38.06 | 6 | 9 | 1 | 125 | 573.983 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALK-1-E | ALK Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.30 | Binding ≤ 10μM |
| AURKA-1-E | Serine/threonine-protein Kinase Aurora-A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.32 | Binding ≤ 10μM |
| CCNB1-1-E | G2/mitotic-specific Cyclin B1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.30 | Binding ≤ 10μM |
| CCNB2-1-E | G2/mitotic-specific Cyclin B2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.30 | Binding ≤ 10μM |
| CCNB3-1-E | G2/mitotic-specific Cyclin B3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.30 | Binding ≤ 10μM |
| CCNE1-1-E | G1/S-specific Cyclin E1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.30 | Binding ≤ 10μM |
| CCNE2-1-E | G1/S-specific Cyclin E2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.30 | Binding ≤ 10μM |
| CDK1-3-E | Cyclin-dependent Kinase 1 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 3 | 0.30 | Binding ≤ 10μM |
| CDK2-1-E | Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 2 | 0.30 | Binding ≤ 10μM |
| EGFR-1-E | Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 101 | 0.24 | Binding ≤ 10μM |
| FAK1-1-E | Focal Adhesion Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.29 | Binding ≤ 10μM |
| FGFR3-1-E | Fibroblast Growth Factor Receptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 22 | 0.27 | Binding ≤ 10μM |
| FLT3-1-E | Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.32 | Binding ≤ 10μM |
| GSK3B-1-E | Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic | Eukaryotes | 3 | 0.30 | Binding ≤ 10μM |
| IGF1R-1-E | Insulin-like Growth Factor 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 52 | 0.25 | Binding ≤ 10μM |
| JAK3-1-E | Tyrosine-protein Kinase JAK3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1 | 0.32 | Binding ≤ 10μM |
| KS6B1-2-E | Ribosomal Protein S6 Kinase 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1 | 0.32 | Binding ≤ 10μM |
| KSYK-1-E | Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1 | 0.32 | Binding ≤ 10μM |
| MET-1-E | Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 194 | 0.23 | Binding ≤ 10μM |
| MK08-1-E | Mitogen-activated Protein Kinase 8 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 1592 | 0.20 | Binding ≤ 10μM |
| MP2K1-1-E | Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 18 | 0.27 | Binding ≤ 10μM |
| MTOR-2-E | Serine/threonine-protein Kinase MTOR (cluster #2 Of 3), Eukaryotic | Eukaryotes | 3018 | 0.19 | Binding ≤ 10μM |
| NTRK2-1-E | Neurotrophic Tyrosine Kinase Receptor Type 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.32 | Binding ≤ 10μM |
| PLK1-1-E | Serine/threonine-protein Kinase PLK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 167 | 0.24 | Binding ≤ 10μM |
| RAF1-1-E | Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.30 | Binding ≤ 10μM |
| RON-1-E | Macrophage-stimulating Protein Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 277 | 0.23 | Binding ≤ 10μM |
| ROS1-1-E | Proto-oncogene Tyrosine-protein Kinase ROS (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.32 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5 | 0.29 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALK_HUMAN | Q9UM73 | ALK Tyrosine Kinase Receptor, Human | 2.71 | 0.30 | Binding ≤ 1μM |
| CDK1_HUMAN | P06493 | Cyclin-dependent Kinase 1, Human | 3.2 | 0.30 | Binding ≤ 1μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 2.13 | 0.30 | Binding ≤ 1μM |
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 18.19 | 0.27 | Binding ≤ 1μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 101.4 | 0.24 | Binding ≤ 1μM |
| FGFR3_HUMAN | P22607 | Fibroblast Growth Factor Receptor 3, Human | 21.5 | 0.27 | Binding ≤ 1μM |
| FAK1_HUMAN | Q05397 | Focal Adhesion Kinase 1, Human | 4.13 | 0.29 | Binding ≤ 1μM |
| CCNE1_HUMAN | P24864 | G1/S-specific Cyclin E1, Human | 2.13 | 0.30 | Binding ≤ 1μM |
| CCNE2_HUMAN | O96020 | G1/S-specific Cyclin E2, Human | 2.13 | 0.30 | Binding ≤ 1μM |
| CCNB1_HUMAN | P14635 | G2/mitotic-specific Cyclin B1, Human | 3.2 | 0.30 | Binding ≤ 1μM |
| CCNB2_HUMAN | O95067 | G2/mitotic-specific Cyclin B2, Human | 3.2 | 0.30 | Binding ≤ 1μM |
| CCNB3_HUMAN | Q8WWL7 | G2/mitotic-specific Cyclin B3, Human | 3.2 | 0.30 | Binding ≤ 1μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 2.73 | 0.30 | Binding ≤ 1μM |
| MET_HUMAN | P08581 | Hepatocyte Growth Factor Receptor, Human | 193.5 | 0.23 | Binding ≤ 1μM |
| IGF1R_HUMAN | P08069 | Insulin-like Growth Factor I Receptor, Human | 51.62 | 0.26 | Binding ≤ 1μM |
| RON_HUMAN | Q04912 | Macrophage-stimulating Protein Receptor, Human | 277.1 | 0.23 | Binding ≤ 1μM |
| NTRK2_HUMAN | Q16620 | Neurotrophic Tyrosine Kinase Receptor Type 2, Human | 1 | 0.32 | Binding ≤ 1μM |
| ROS1_HUMAN | P08922 | Proto-oncogene Tyrosine-protein Kinase ROS, Human | 1 | 0.32 | Binding ≤ 1μM |
| KS6B1_HUMAN | P23443 | Ribosomal Protein S6 Kinase 1, Human | 1 | 0.32 | Binding ≤ 1μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 1 | 0.32 | Binding ≤ 1μM |
| PLK1_HUMAN | P53350 | Serine/threonine-protein Kinase PLK1, Human | 167.4 | 0.24 | Binding ≤ 1μM |
| RAF1_HUMAN | P04049 | Serine/threonine-protein Kinase RAF, Human | 107.1 | 0.24 | Binding ≤ 1μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 1 | 0.32 | Binding ≤ 1μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 1 | 0.32 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 4.79 | 0.29 | Binding ≤ 1μM |
| KSYK_HUMAN | P43405 | Tyrosine-protein Kinase SYK, Human | 1 | 0.32 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 9.42 | 0.28 | Binding ≤ 1μM |
| ALK_HUMAN | Q9UM73 | ALK Tyrosine Kinase Receptor, Human | 2.71 | 0.30 | Binding ≤ 10μM |
| MK08_HUMAN | P45983 | C-Jun N-terminal Kinase 1, Human | 1592 | 0.20 | Binding ≤ 10μM |
| CDK1_HUMAN | P06493 | Cyclin-dependent Kinase 1, Human | 3.2 | 0.30 | Binding ≤ 10μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 2.13 | 0.30 | Binding ≤ 10μM |
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 18.19 | 0.27 | Binding ≤ 10μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 101.4 | 0.24 | Binding ≤ 10μM |
| FGFR3_HUMAN | P22607 | Fibroblast Growth Factor Receptor 3, Human | 21.5 | 0.27 | Binding ≤ 10μM |
| MTOR_HUMAN | P42345 | FK506 Binding Protein 12, Human | 3018 | 0.19 | Binding ≤ 10μM |
| FAK1_HUMAN | Q05397 | Focal Adhesion Kinase 1, Human | 4.13 | 0.29 | Binding ≤ 10μM |
| CCNE1_HUMAN | P24864 | G1/S-specific Cyclin E1, Human | 2.13 | 0.30 | Binding ≤ 10μM |
| CCNE2_HUMAN | O96020 | G1/S-specific Cyclin E2, Human | 2.13 | 0.30 | Binding ≤ 10μM |
| CCNB1_HUMAN | P14635 | G2/mitotic-specific Cyclin B1, Human | 3.2 | 0.30 | Binding ≤ 10μM |
| CCNB2_HUMAN | O95067 | G2/mitotic-specific Cyclin B2, Human | 3.2 | 0.30 | Binding ≤ 10μM |
| CCNB3_HUMAN | Q8WWL7 | G2/mitotic-specific Cyclin B3, Human | 3.2 | 0.30 | Binding ≤ 10μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 2.73 | 0.30 | Binding ≤ 10μM |
| MET_HUMAN | P08581 | Hepatocyte Growth Factor Receptor, Human | 193.5 | 0.23 | Binding ≤ 10μM |
| IGF1R_HUMAN | P08069 | Insulin-like Growth Factor I Receptor, Human | 51.62 | 0.26 | Binding ≤ 10μM |
| RON_HUMAN | Q04912 | Macrophage-stimulating Protein Receptor, Human | 277.1 | 0.23 | Binding ≤ 10μM |
| NTRK2_HUMAN | Q16620 | Neurotrophic Tyrosine Kinase Receptor Type 2, Human | 1 | 0.32 | Binding ≤ 10μM |
| ROS1_HUMAN | P08922 | Proto-oncogene Tyrosine-protein Kinase ROS, Human | 1 | 0.32 | Binding ≤ 10μM |
| KS6B1_HUMAN | P23443 | Ribosomal Protein S6 Kinase 1, Human | 1 | 0.32 | Binding ≤ 10μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 1 | 0.32 | Binding ≤ 10μM |
| PLK1_HUMAN | P53350 | Serine/threonine-protein Kinase PLK1, Human | 167.4 | 0.24 | Binding ≤ 10μM |
| RAF1_HUMAN | P04049 | Serine/threonine-protein Kinase RAF, Human | 107.1 | 0.24 | Binding ≤ 10μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 1 | 0.32 | Binding ≤ 10μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 1 | 0.32 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 4.79 | 0.29 | Binding ≤ 10μM |
| KSYK_HUMAN | P43405 | Tyrosine-protein Kinase SYK, Human | 1 | 0.32 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 9.42 | 0.28 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of BIM and translocation to mitochondria | |
| Activation of BMF and translocation to mitochondria | |
| Activation of NIMA Kinases NEK9, NEK6, NEK7 | |
| Activation of the AP-1 family of transcription factors | |
| 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 truncation mutants have impaired AXIN binding | |
| APC/C:Cdc20 mediated degradation of Cyclin B | |
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| Apoptotic cleavage of cellular proteins | |
| AXIN missense mutants destabilize the destruction complex | |
| Beta-catenin phosphorylation cascade | |
| CD28 dependent PI3K/Akt signaling | |
| CDK-mediated phosphorylation and removal of Cdc6 | |
| Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex | |
| Condensation of Prometaphase Chromosomes | |
| Condensation of Prophase Chromosomes | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CREB phosphorylation through the activation of Ras | |
| CRMPs in Sema3A signaling | |
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin A:Cdk2-associated events at S phase entry | |
| Cyclin B2 mediated events | |
| Cyclin E associated events during G1/S transition | |
| DAP12 signaling | |
| DCC mediated attractive signaling | |
| Degradation of beta-catenin by the destruction complex | |
| Depolymerisation of the Nuclear Lamina | |
| disassembly of the destruction complex and recruitment of AXIN to the membrane | |
| DNA Damage/Telomere Stress Induced Senescence | |
| DSCAM interactions | |
| E2F mediated regulation of DNA replication | |
| E2F-enabled inhibition of pre-replication complex formation | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| ERK1 activation | |
| Factors involved in megakaryocyte development and platelet production | |
| Fc epsilon receptor (FCERI) signaling | |
| FCERI mediated Ca+2 mobilization | |
| FCERI mediated MAPK activation | |
| FCGR activation | |
| G0 and Early G1 | |
| G1/S-Specific Transcription | |
| G2 Phase | |
| G2/M DNA replication checkpoint | |
| GAB1 signalosome | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| GP1b-IX-V activation signalling | |
| GPVI-mediated activation cascade | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| GRB2:SOS provides linkage to MAPK signaling for Integrins | |
| HSF1-dependent transactivation | |
| Integrin alphaIIb beta3 signaling | |
| Integrin cell surface interactions | |
| Interleukin receptor SHC signaling | |
| Interleukin-1 signaling | |
| Interleukin-2 signaling | |
| Interleukin-7 signaling | |
| IRS-related events triggered by IGF1R | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| MASTL Facilitates Mitotic Progression | |
| Meiotic recombination | |
| MEK activation | |
| misspliced GSK3beta mutants stabilize beta-catenin | |
| Mitotic Metaphase/Anaphase Transition | |
| Mitotic Prometaphase | |
| Mitotic Telophase/Cytokinesis | |
| mTOR signalling | |
| NCAM signaling for neurite out-growth | |
| Netrin mediated repulsion signals | |
| Neurophilin interactions with VEGF and VEGFR | |
| NGF-independant TRKA activation | |
| NRAGE signals death through JNK | |
| NRIF signals cell death from the nucleus | |
| Nuclear Pore Complex (NPC) Disassembly | |
| Orc1 removal from chromatin | |
| Oxidative Stress Induced Senescence | |
| p130Cas linkage to MAPK signaling for integrins | |
| p53-Dependent G1 DNA Damage Response | |
| Phosphorylation of Emi1 | |
| Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 | |
| Phosphorylation of proteins involved in the G2/M transition by Cyclin A:Cdc2 com | |
| Phosphorylation of the APC/C | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 signaling | |
| Polo-like kinase mediated events | |
| RAF activation | |
| RAF phosphorylates MEK | |
| Rap1 signalling | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Recruitment of NuMA to mitotic centrosomes | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| Regulation of HSF1-mediated heat shock response | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Regulation of signaling by CBL | |
| Release of eIF4E | |
| Resolution of Sister Chromatid Cohesion | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Role of phospholipids in phagocytosis | |
| S33 mutants of beta-catenin aren't phosphorylated | |
| S37 mutants of beta-catenin aren't phosphorylated | |
| S45 mutants of beta-catenin aren't phosphorylated | |
| S6K1 signalling | |
| S6K1-mediated signalling | |
| SCF(Skp2)-mediated degradation of p27/p21 | |
| Sema4D mediated inhibition of cell attachment and migration | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Separation of Sister Chromatids | |
| SHC-related events triggered by IGF1R | |
| SHC1 events in EGFR signaling | |
| SHC1 events in ERBB2 signaling | |
| Signal regulatory protein (SIRP) family interactions | |
| Signal transduction by L1 | |
| Signaling by activated point mutants of FGFR3 | |
| Signaling by constitutively active EGFR | |
| Signaling by EGFR | |
| Signaling by ERBB2 | |
| Signaling by ERBB4 | |
| Signaling by FGFR | |
| Signaling by FGFR mutants | |
| Signaling by FGFR3 mutants | |
| Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R) | |
| Stimuli-sensing channels | |
| t(4;14) translocations of FGFR3 | |
| T41 mutants of beta-catenin aren't phosphorylated | |
| truncations of AMER1 destabilize the destruction complex | |
| Uptake and function of anthrax toxins | |
| 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.
