| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 4th, 2011 | 22 | Yes |
Popular Name: [4-amino-2-(3-pyridylamino)thiazol-5-yl]-(2-fluorophenyl)methanone [4-amino-2-(3-pyridylamino)thiaz…
| 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) | 3.33 | 6.27 | -14.23 | 3 | 5 | 0 | 81 | 314.345 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.33 | 6.73 | -48.02 | 4 | 5 | 1 | 82 | 315.353 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDK2-1-E | Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 25 | 0.48 | Binding ≤ 10μM |
| GSK3B-1-E | Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic | Eukaryotes | 45 | 0.47 | Binding ≤ 10μM |
| TAU-1-E | Microtubule-associated Protein Tau (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5500 | 0.33 | Binding ≤ 10μM |
| Z104294-1-O | Cyclin-dependent Kinase 5/CDK5 Activator 1 (cluster #1 Of 2), Other | Other | 30 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 25 | 0.48 | Binding ≤ 1μM |
| Z104294 | Z104294 | Cyclin-dependent Kinase 5/CDK5 Activator 1 | 30 | 0.48 | Binding ≤ 1μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 45 | 0.47 | Binding ≤ 1μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 25 | 0.48 | Binding ≤ 10μM |
| Z104294 | Z104294 | Cyclin-dependent Kinase 5/CDK5 Activator 1 | 30 | 0.48 | Binding ≤ 10μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 45 | 0.47 | Binding ≤ 10μM |
| TAU_RAT | P19332 | Microtubule-associated Protein Tau, Rat | 5500 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of the pre-replicative complex | |
| AKT phosphorylates targets in the cytosol | |
| 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 | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| 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 | |
| Factors involved in megakaryocyte development and platelet production | |
| G0 and Early G1 | |
| G2 Phase | |
| Meiotic recombination | |
| misspliced GSK3beta mutants stabilize beta-catenin | |
| Orc1 removal from chromatin | |
| p53-Dependent G1 DNA Damage Response | |
| Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| Regulation of HSF1-mediated heat shock response | |
| 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 | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| T41 mutants of beta-catenin aren't phosphorylated | |
| truncations of AMER1 destabilize the destruction complex |
No pre-computed analogs available. Try a structural similarity search.