| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 27 | 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) | 3.46 | 10.69 | -11.56 | 2 | 6 | 0 | 90 | 372.457 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.46 | 11.16 | -40.43 | 3 | 6 | 1 | 92 | 373.465 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.46 | 11.46 | -42.48 | 3 | 6 | 1 | 92 | 373.465 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BLK-1-E | Tyrosine-protein Kinase BLK (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.26 | Binding ≤ 10μM |
| CCNA1-1-E | Cyclin A1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1400 | 0.30 | Binding ≤ 10μM |
| CCNA2-1-E | Cyclin A2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1400 | 0.30 | Binding ≤ 10μM |
| CDK2-1-E | Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 1400 | 0.30 | Binding ≤ 10μM |
| DYRK2-1-E | Dual-specificity Tyrosine-phosphorylation Regulated Kinase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 300 | 0.34 | Binding ≤ 10μM |
| E2AK2-1-E | Interferon-induced, Double-stranded RNA-activated Protein Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 100 | 0.36 | Binding ≤ 10μM |
| GSK3B-1-E | Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic | Eukaryotes | 40 | 0.38 | Binding ≤ 10μM |
| KS6A3-1-E | Ribosomal Protein S6 Kinase Alpha 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.26 | Binding ≤ 10μM |
| KS6A5-1-E | Ribosomal Protein S6 Kinase Alpha 5 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 10000 | 0.26 | Binding ≤ 10μM |
| MK08-1-E | Mitogen-activated Protein Kinase 8 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 2600 | 0.29 | Binding ≤ 10μM |
| MK09-1-E | C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5000 | 0.27 | Binding ≤ 10μM |
| MK10-1-E | C-Jun N-terminal Kinase 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 70 | 0.37 | Binding ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4800 | 0.28 | Binding ≤ 10μM |
| MP2K6-1-E | Dual Specificity Mitogen-activated Protein Kinase Kinase 6 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.26 | Binding ≤ 10μM |
| PIM1-1-E | Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 80 | 0.37 | Binding ≤ 10μM |
| PIM3-1-E | Serine/threonine-protein Kinase PIM3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.39 | Binding ≤ 10μM |
| RAF1-1-E | Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1200 | 0.31 | Binding ≤ 10μM |
| ROCK2-1-E | Rho-associated Protein Kinase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.26 | Binding ≤ 10μM |
| SGK1-1-E | Serine/threonine-protein Kinase Sgk1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.26 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1100 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK08_HUMAN | P45983 | C-Jun N-terminal Kinase 1, Human | 150 | 0.35 | Binding ≤ 1μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 220 | 0.35 | Binding ≤ 1μM |
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 70 | 0.37 | Binding ≤ 1μM |
| MK10_RAT | P49187 | C-Jun N-terminal Kinase 3, Rat | 120 | 0.36 | Binding ≤ 1μM |
| DYRK2_HUMAN | Q92630 | Dual-specificity Tyrosine-phosphorylation Regulated Kinase 2, Human | 300 | 0.34 | Binding ≤ 1μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 40 | 0.38 | Binding ≤ 1μM |
| E2AK2_HUMAN | P19525 | Interferon-induced, Double-stranded RNA-activated Protein Kinase, Human | 100 | 0.36 | Binding ≤ 1μM |
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 80 | 0.37 | Binding ≤ 1μM |
| PIM3_HUMAN | Q86V86 | Serine/threonine-protein Kinase PIM3, Human | 30 | 0.39 | Binding ≤ 1μM |
| MK08_HUMAN | P45983 | C-Jun N-terminal Kinase 1, Human | 150 | 0.35 | Binding ≤ 10μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 220 | 0.35 | Binding ≤ 10μM |
| MK10_RAT | P49187 | C-Jun N-terminal Kinase 3, Rat | 120 | 0.36 | Binding ≤ 10μM |
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 70 | 0.37 | Binding ≤ 10μM |
| CCNA1_HUMAN | P78396 | Cyclin A1, Human | 1400 | 0.30 | Binding ≤ 10μM |
| CCNA2_HUMAN | P20248 | Cyclin A2, Human | 1400 | 0.30 | Binding ≤ 10μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 1400 | 0.30 | Binding ≤ 10μM |
| MP2K6_HUMAN | P52564 | Dual Specificity Mitogen-activated Protein Kinase Kinase 6, Human | 10000 | 0.26 | Binding ≤ 10μM |
| DYRK2_HUMAN | Q92630 | Dual-specificity Tyrosine-phosphorylation Regulated Kinase 2, Human | 300 | 0.34 | Binding ≤ 10μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 40 | 0.38 | Binding ≤ 10μM |
| E2AK2_HUMAN | P19525 | Interferon-induced, Double-stranded RNA-activated Protein Kinase, Human | 100 | 0.36 | Binding ≤ 10μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 4800 | 0.28 | Binding ≤ 10μM |
| ROCK2_HUMAN | O75116 | Rho-associated Protein Kinase 2, Human | 10000 | 0.26 | Binding ≤ 10μM |
| KS6A3_HUMAN | P51812 | Ribosomal Protein S6 Kinase Alpha 3, Human | 10000 | 0.26 | Binding ≤ 10μM |
| KS6A5_HUMAN | O75582 | Ribosomal Protein S6 Kinase Alpha 5, Human | 10000 | 0.26 | Binding ≤ 10μM |
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 80 | 0.37 | Binding ≤ 10μM |
| PIM3_HUMAN | Q86V86 | Serine/threonine-protein Kinase PIM3, Human | 30 | 0.39 | Binding ≤ 10μM |
| RAF1_HUMAN | P04049 | Serine/threonine-protein Kinase RAF, Human | 1200 | 0.31 | Binding ≤ 10μM |
| SGK1_HUMAN | O00141 | Serine/threonine-protein Kinase Sgk1, Human | 10000 | 0.26 | Binding ≤ 10μM |
| BLK_HUMAN | P51451 | Tyrosine-protein Kinase BLK, Human | 10000 | 0.26 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 1100 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| activated TAK1 mediates p38 MAPK activation | |
| Activation of ATR in response to replication stress | |
| Activation of BIM and translocation to mitochondria | |
| Activation of BMF and translocation to mitochondria | |
| Activation of PPARGC1A (PGC-1alpha) by phosphorylation | |
| Activation of the AP-1 family of transcription factors | |
| Activation of the pre-replicative complex | |
| ADP signalling through P2Y purinoceptor 1 | |
| 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 | |
| AXIN missense mutants destabilize the destruction complex | |
| Beta-catenin phosphorylation cascade | |
| CDK-mediated phosphorylation and removal of Cdc6 | |
| CDO in myogenesis | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CREB phosphorylation | |
| 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 E associated events during G1/S transition | |
| Degradation of beta-catenin by the destruction complex | |
| 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 | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| ERK/MAPK targets | |
| Factors involved in megakaryocyte development and platelet production | |
| FCERI mediated MAPK activation | |
| G alpha (12/13) signalling events | |
| G0 and Early G1 | |
| G1/S-Specific Transcription | |
| G2 Phase | |
| Gastrin-CREB signalling pathway via PKC and MAPK | |
| GP1b-IX-V activation signalling | |
| Inhibition of PKR | |
| Interleukin-1 signaling | |
| ISG15 antiviral mechanism | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| KSRP destabilizes mRNA | |
| Meiotic recombination | |
| MEK activation | |
| misspliced GSK3beta mutants stabilize beta-catenin | |
| NCAM signaling for neurite out-growth | |
| NOD1/2 Signaling Pathway | |
| NRAGE signals death through JNK | |
| NRIF signals cell death from the nucleus | |
| Orc1 removal from chromatin | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| p53-Dependent G1 DNA Damage Response | |
| 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 | |
| Platelet sensitization by LDL | |
| RAF activation | |
| RAF phosphorylates MEK | |
| Rap1 signalling | |
| Recycling pathway of L1 | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| Regulation of HSF1-mediated heat shock response | |
| RSK activation | |
| S33 mutants of beta-catenin aren't phosphorylated | |
| S37 mutants of beta-catenin aren't phosphorylated | |
| S45 mutants of beta-catenin aren't phosphorylated | |
| SCF(Skp2)-mediated degradation of p27/p21 | |
| Sema4D induced cell migration and growth-cone collapse | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Signaling by ERBB2 | |
| Stimuli-sensing channels | |
| T41 mutants of beta-catenin aren't phosphorylated | |
| truncations of AMER1 destabilize the destruction complex | |
| VEGFA-VEGFR2 Pathway |
No pre-computed analogs available. Try a structural similarity search.