| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2009 | 32 | Yes |
Popular Name: chloro-oxo-(thiazol-5-ylmethylamino)BLAHcarbonitrile chloro-oxo-(thiazol-5-ylmethylam…
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) | 3.15 | 4.7 | -21.1 | 3 | 10 | 0 | 134 | 471.93 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AAKB1-1-E | AMP-activated Protein Kinase, Beta-1 Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1539 | 0.25 | Binding ≤ 10μM |
| AKT1-2-E | RAC-alpha Serine/threonine-protein Kinase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 3698 | 0.24 | Binding ≤ 10μM |
| AKT2-2-E | Serine/threonine-protein Kinase AKT2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4800 | 0.23 | Binding ≤ 10μM |
| AKT3-2-E | Serine/threonine-protein Kinase AKT3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7157 | 0.23 | Binding ≤ 10μM |
| CDK2-1-E | Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 3088 | 0.24 | Binding ≤ 10μM |
| CHK1-1-E | Serine/threonine-protein Kinase Chk1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4 | 0.37 | Binding ≤ 10μM |
| DYR1A-3-E | Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 3401 | 0.24 | Binding ≤ 10μM |
| GSK3A-1-E | Glycogen Synthase Kinase-3 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 911 | 0.26 | Binding ≤ 10μM |
| IRAK1-1-E | Interleukin-1 Receptor-associated Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3011 | 0.24 | Binding ≤ 10μM |
| KIT-1-E | Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1119 | 0.26 | Binding ≤ 10μM |
| KS6A4-1-E | Ribosomal Protein S6 Kinase Alpha 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 949 | 0.26 | Binding ≤ 10μM |
| MAPK2-1-E | MAP Kinase-activated Protein Kinase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3886 | 0.24 | Binding ≤ 10μM |
| MARK2-1-E | MAP/microtubule Affinity-regulating Kinase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4266 | 0.23 | Binding ≤ 10μM |
| MK13-1-E | MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6812 | 0.23 | Binding ≤ 10μM |
| PDK1-1-E | Pyruvate Dehydrogenase Kinase Isoform 1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3482 | 0.24 | Binding ≤ 10μM |
| PIM1-1-E | Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9182 | 0.22 | Binding ≤ 10μM |
| PLK1-1-E | Serine/threonine-protein Kinase PLK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6560 | 0.23 | Binding ≤ 10μM |
| PLK3-1-E | Serine/threonine-protein Kinase PLK3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1085 | 0.26 | Binding ≤ 10μM |
| SGK1-1-E | Serine/threonine-protein Kinase Sgk1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8176 | 0.22 | Binding ≤ 10μM |
| SRPK1-1-E | Serine/threonine-protein Kinase SRPK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2307 | 0.25 | Binding ≤ 10μM |
| TOPK-1-E | PDZ-binding Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5195 | 0.23 | Binding ≤ 10μM |
| VGFR3-1-E | Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6846 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSK3A_HUMAN | P49840 | Glycogen Synthase Kinase-3 Alpha, Human | 911 | 0.26 | Binding ≤ 1μM |
| KS6A4_HUMAN | O75676 | Ribosomal Protein S6 Kinase Alpha 4, Human | 949 | 0.26 | Binding ≤ 1μM |
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 4 | 0.37 | Binding ≤ 1μM |
| AAKB1_HUMAN | Q9Y478 | AMP-activated Protein Kinase, Beta-1 Subunit, Human | 1539 | 0.25 | Binding ≤ 10μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 3088 | 0.24 | Binding ≤ 10μM |
| DYR1A_HUMAN | Q13627 | Dual-specificity Tyrosine-phosphorylation Regulated Kinase 1A, Human | 3401 | 0.24 | Binding ≤ 10μM |
| GSK3A_HUMAN | P49840 | Glycogen Synthase Kinase-3 Alpha, Human | 911 | 0.26 | Binding ≤ 10μM |
| IRAK1_HUMAN | P51617 | Interleukin-1 Receptor-associated Kinase 1, Human | 3011 | 0.24 | Binding ≤ 10μM |
| MK13_HUMAN | O15264 | MAP Kinase P38 Delta, Human | 6812 | 0.23 | Binding ≤ 10μM |
| MAPK2_HUMAN | P49137 | MAP Kinase-activated Protein Kinase 2, Human | 3886 | 0.24 | Binding ≤ 10μM |
| MARK2_HUMAN | Q7KZI7 | MAP/microtubule Affinity-regulating Kinase 2, Human | 4266 | 0.23 | Binding ≤ 10μM |
| TOPK_HUMAN | Q96KB5 | PDZ-binding Kinase, Human | 5195 | 0.23 | Binding ≤ 10μM |
| PDK1_HUMAN | Q15118 | Pyruvate Dehydrogenase Kinase Isoform 1, Human | 3482 | 0.24 | Binding ≤ 10μM |
| KS6A4_HUMAN | O75676 | Ribosomal Protein S6 Kinase Alpha 4, Human | 949 | 0.26 | Binding ≤ 10μM |
| AKT1_HUMAN | P31749 | Serine/threonine-protein Kinase AKT, Human | 3698 | 0.24 | Binding ≤ 10μM |
| AKT2_HUMAN | P31751 | Serine/threonine-protein Kinase AKT2, Human | 4800 | 0.23 | Binding ≤ 10μM |
| AKT3_HUMAN | Q9Y243 | Serine/threonine-protein Kinase AKT3, Human | 7157 | 0.23 | Binding ≤ 10μM |
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 4 | 0.37 | Binding ≤ 10μM |
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 9182 | 0.22 | Binding ≤ 10μM |
| PLK1_HUMAN | P53350 | Serine/threonine-protein Kinase PLK1, Human | 6560 | 0.23 | Binding ≤ 10μM |
| PLK3_HUMAN | Q9H4B4 | Serine/threonine-protein Kinase PLK3, Human | 1085 | 0.26 | Binding ≤ 10μM |
| SGK1_HUMAN | O00141 | Serine/threonine-protein Kinase Sgk1, Human | 8176 | 0.22 | Binding ≤ 10μM |
| SRPK1_HUMAN | Q96SB4 | Serine/threonine-protein Kinase SRPK1, Human | 2307 | 0.25 | Binding ≤ 10μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 1119 | 0.26 | Binding ≤ 10μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 6846 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| activated TAK1 mediates p38 MAPK activation | |
| Activation of ATR in response to replication stress | |
| Activation of BAD and translocation to mitochondria | |
| Activation of NIMA Kinases NEK9, NEK6, NEK7 | |
| Activation of PKB | |
| Activation of PPARGC1A (PGC-1alpha) by phosphorylation | |
| Activation of the pre-replicative complex | |
| AKT phosphorylates targets in the cytosol | |
| AKT phosphorylates targets in the nucleus | |
| AKT-mediated inactivation of FOXO1A | |
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| Butyrate Response Factor 1 (BRF1) destabilizes mRNA | |
| CD28 dependent PI3K/Akt signaling | |
| CDK-mediated phosphorylation and removal of Cdc6 | |
| Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex | |
| Condensation of Prophase Chromosomes | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CREB phosphorylation | |
| 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 | |
| deactivation of the beta-catenin transactivating complex | |
| DNA Damage/Telomere Stress Induced Senescence | |
| Downregulation of ERBB2:ERBB3 signaling | |
| DSCAM interactions | |
| eNOS activation | |
| Factors involved in megakaryocyte development and platelet production | |
| G beta:gamma signalling through PI3Kgamma | |
| G0 and Early G1 | |
| G2 Phase | |
| G2/M DNA damage checkpoint | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| GPVI-mediated activation cascade | |
| Inhibition of TSC complex formation by PKB | |
| Integrin alphaIIb beta3 signaling | |
| Interleukin-1 signaling | |
| IRAK1 recruits IKK complex | |
| IRAK1 recruits IKK complex upon TLR7/8 or 9 stimulation | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| KSRP destabilizes mRNA | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| Meiotic recombination | |
| Mitotic Metaphase/Anaphase Transition | |
| Mitotic Prometaphase | |
| Mitotic Telophase/Cytokinesis | |
| MyD88 cascade initiated on plasma membrane | |
| MyD88 dependent cascade initiated on endosome | |
| MyD88:Mal cascade initiated on plasma membrane | |
| Negative regulation of the PI3K/AKT network | |
| NF-kB is activated and signals survival | |
| NOD1/2 Signaling Pathway | |
| Orc1 removal from chromatin | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| p53-Dependent G1 DNA Damage Response | |
| p75NTR recruits signalling complexes | |
| PDE3B signalling | |
| Phosphorylation of Emi1 | |
| Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 | |
| Phosphorylation of the APC/C | |
| PIP3 activates AKT signaling | |
| Polo-like kinase mediated events | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Recycling pathway of L1 | |
| Regulation of AMPK activity via LKB1 | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| Regulation of HSF1-mediated heat shock response | |
| Regulation of KIT signaling | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Regulation of pyruvate dehydrogenase (PDH) complex | |
| Regulation of Rheb GTPase activity by AMPK | |
| Resolution of Sister Chromatid Cohesion | |
| SCF(Skp2)-mediated degradation of p27/p21 | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Separation of Sister Chromatids | |
| Signaling by SCF-KIT | |
| Stimuli-sensing channels | |
| Synthesis of Leukotrienes (LT) and Eoxins (EX) | |
| TAK1 activates NFkB by phosphorylation and activation of IKKs complex | |
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation | |
| TRAF6 mediated induction of NFkB and MAP kinases upon TLR7/8 or 9 activation | |
| TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling | |
| Translocation of GLUT4 to the plasma membrane | |
| Tristetraprolin (TTP) destabilizes mRNA | |
| Ubiquitin Mediated Degradation of Phosphorylated Cdc25A | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated vascular permeability | |
| XBP1(S) activates chaperone genes |
No pre-computed analogs available. Try a structural similarity search.