| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2005 | 26 | No |
Popular Name: CYC116 CYC116
Find On: PubMed — Wikipedia — Google
CAS Numbers: 693228-63-6 , [693228-63-6]
4-(2-amino-4-methylthiazol-5-yl)-N-(4-morpholinophenyl)pyrimidin-2-amine
4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
| 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) | 2.83 | -5.83 | -10.66 | 3 | 7 | 0 | 89 | 368.466 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Aurora Kinase, VEGFR | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AURKA-3-E | Serine/threonine-protein Kinase Aurora-A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 8 | 0.44 | Binding ≤ 10μM |
| AURKB-1-E | Serine/threonine-protein Kinase Aurora-B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9 | 0.43 | Binding ≤ 10μM |
| AURKC-1-E | Serine/threonine-protein Kinase Aurora-C (cluster #1 Of 2), Eukaryotic | Eukaryotes | 65 | 0.39 | Binding ≤ 10μM |
| CCNT1-1-E | Cyclin T1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 480 | 0.34 | Binding ≤ 10μM |
| CDK2-1-E | Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 390 | 0.35 | Binding ≤ 10μM |
| CDK4-1-E | Cyclin-dependent Kinase 4 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1090 | 0.32 | Binding ≤ 10μM |
| CDK9-1-E | Cyclin-dependent Kinase 9 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 480 | 0.34 | Binding ≤ 10μM |
| FLT3-1-E | Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 88 | 0.38 | Binding ≤ 10μM |
| KS6B1-1-E | Ribosomal Protein S6 Kinase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 540 | 0.34 | Binding ≤ 10μM |
| LCK-1-E | Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2800 | 0.30 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 820 | 0.33 | Binding ≤ 10μM |
| VGFR2-2-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 69 | 0.39 | Binding ≤ 10μM |
| Z104299-1-O | Cyclin-dependent Kinase 2/cyclin E1 (cluster #1 Of 1), Other | Other | 390 | 0.35 | Binding ≤ 10μM |
| Z100405-1-O | MV4-11 (Myeloid Leukemia Cells) (cluster #1 Of 1), Other | Other | 34 | 0.40 | Functional ≤ 10μM |
| Z80064-1-O | CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other | Other | 471 | 0.34 | Functional ≤ 10μM |
| Z80156-2-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other | Other | 372 | 0.35 | Functional ≤ 10μM |
| Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 725 | 0.33 | Functional ≤ 10μM |
| Z80186-1-O | K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other | Other | 1375 | 0.32 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 599 | 0.34 | Functional ≤ 10μM |
| Z80928-3-O | HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other | Other | 340 | 0.35 | Functional ≤ 10μM |
| Z81024-1-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other | Other | 681 | 0.33 | Functional ≤ 10μM |
| Z81034-1-O | A2780 (Ovarian Carcinoma Cells) (cluster #1 Of 10), Other | Other | 170 | 0.36 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 590 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCNT1_HUMAN | O60563 | Cyclin T1, Human | 480 | 0.34 | Binding ≤ 1μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 390 | 0.35 | Binding ≤ 1μM |
| Z104299 | Z104299 | Cyclin-dependent Kinase 2/cyclin E1 | 390 | 0.35 | Binding ≤ 1μM |
| CDK9_HUMAN | P50750 | Cyclin-dependent Kinase 9, Human | 480 | 0.34 | Binding ≤ 1μM |
| KS6B1_HUMAN | P23443 | Ribosomal Protein S6 Kinase 1, Human | 540 | 0.34 | Binding ≤ 1μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 44 | 0.40 | Binding ≤ 1μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 19 | 0.42 | Binding ≤ 1μM |
| AURKC_HUMAN | Q9UQB9 | Serine/threonine-protein Kinase Aurora-C, Human | 65 | 0.39 | Binding ≤ 1μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 44 | 0.40 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 820 | 0.33 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 44 | 0.40 | Binding ≤ 1μM |
| CCNT1_HUMAN | O60563 | Cyclin T1, Human | 480 | 0.34 | Binding ≤ 10μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 390 | 0.35 | Binding ≤ 10μM |
| Z104299 | Z104299 | Cyclin-dependent Kinase 2/cyclin E1 | 390 | 0.35 | Binding ≤ 10μM |
| CDK4_HUMAN | P11802 | Cyclin-dependent Kinase 4, Human | 1090 | 0.32 | Binding ≤ 10μM |
| CDK9_HUMAN | P50750 | Cyclin-dependent Kinase 9, Human | 480 | 0.34 | Binding ≤ 10μM |
| KS6B1_HUMAN | P23443 | Ribosomal Protein S6 Kinase 1, Human | 540 | 0.34 | Binding ≤ 10μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 44 | 0.40 | Binding ≤ 10μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 19 | 0.42 | Binding ≤ 10μM |
| AURKC_HUMAN | Q9UQB9 | Serine/threonine-protein Kinase Aurora-C, Human | 65 | 0.39 | Binding ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 2800 | 0.30 | Binding ≤ 10μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 44 | 0.40 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 820 | 0.33 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 44 | 0.40 | Binding ≤ 10μM |
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 170 | 0.36 | Functional ≤ 10μM |
| Z80064 | Z80064 | CCRF-CEM (T-cell Leukemia) | 471 | 0.34 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 340 | 0.35 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 590 | 0.34 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 372 | 0.35 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 725 | 0.33 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 1375 | 0.32 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 599 | 0.34 | Functional ≤ 10μM |
| Z100405 | Z100405 | MV4-11 (Myeloid Leukemia Cells) | 34 | 0.40 | Functional ≤ 10μM |
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 681 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of the pre-replicative complex | |
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| 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 D associated events in G1 | |
| 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 | |
| Formation of HIV elongation complex in the absence of HIV Tat | |
| Formation of HIV-1 elongation complex containing HIV-1 Tat | |
| Formation of RNA Pol II elongation complex | |
| G0 and Early G1 | |
| G2 Phase | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| HIV elongation arrest and recovery | |
| Integrin cell surface interactions | |
| Interactions of Tat with host cellular proteins | |
| Interleukin-2 signaling | |
| Meiotic recombination | |
| Mitotic Prometaphase | |
| Nef and signal transduction | |
| Nef Mediated CD4 Down-regulation | |
| Neurophilin interactions with VEGF and VEGFR | |
| Oncogene Induced Senescence | |
| Orc1 removal from chromatin | |
| Oxidative Stress Induced Senescence | |
| p53-Dependent G1 DNA Damage Response | |
| Pausing and recovery of HIV elongation | |
| Pausing and recovery of Tat-mediated HIV elongation | |
| PD-1 signaling | |
| PECAM1 interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 | |
| PIP3 activates AKT signaling | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| Regulation of KIT signaling | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Resolution of Sister Chromatid Cohesion | |
| RMTs methylate histone arginines | |
| RNA Polymerase II Pre-transcription Events | |
| RNA Polymerase II Transcription Elongation | |
| S6K1 signalling | |
| S6K1-mediated signalling | |
| SCF(Skp2)-mediated degradation of p27/p21 | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Separation of Sister Chromatids | |
| Signaling by ERBB2 | |
| Signaling by SCF-KIT | |
| SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription | |
| Tat-mediated elongation of the HIV-1 transcript | |
| Tat-mediated HIV elongation arrest and recovery | |
| Transcriptional regulation of white adipocyte differentiation | |
| Translocation of ZAP-70 to Immunological synapse | |
| Ubiquitin-dependent degradation of Cyclin D1 | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
No pre-computed analogs available. Try a structural similarity search.