| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2005 | 25 | Yes |
Popular Name: 3-[[4-[4-(3-chlorophenyl)amino-1,3,5-triazin-2-yl]-2-pyridyl]amino]propan-1-ol 3-[[4-[4-(3-chlorophenyl)amino-1…
| 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) | 2.93 | -4.76 | -36.48 | 4 | 7 | 1 | 97 | 357.825 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCNA1-1-E | Cyclin A1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 7 | 0.46 | Binding ≤ 10μM |
| CCNA2-1-E | Cyclin A2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 7 | 0.46 | Binding ≤ 10μM |
| CCNB1-1-E | G2/mitotic-specific Cyclin B1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 21 | 0.43 | Binding ≤ 10μM |
| CCNB2-1-E | G2/mitotic-specific Cyclin B2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 21 | 0.43 | Binding ≤ 10μM |
| CCNB3-1-E | G2/mitotic-specific Cyclin B3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 21 | 0.43 | Binding ≤ 10μM |
| CCND3-1-E | G1/S-specific Cyclin D3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 356 | 0.36 | Binding ≤ 10μM |
| CCNH-1-E | Cyclin H (cluster #1 Of 1), Eukaryotic | Eukaryotes | 126 | 0.39 | Binding ≤ 10μM |
| CDK1-1-E | Cyclin-dependent Kinase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 21 | 0.43 | Binding ≤ 10μM |
| CDK2-1-E | Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 7 | 0.46 | Binding ≤ 10μM |
| CDK6-1-E | Cyclin-dependent Kinase 6 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 356 | 0.36 | Binding ≤ 10μM |
| CDK7-1-E | Cyclin-dependent Kinase 7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 126 | 0.39 | Binding ≤ 10μM |
| GSK3B-1-E | Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic | Eukaryotes | 20 | 0.43 | Binding ≤ 10μM |
| KC1A-1-E | Casein Kinase I Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3050 | 0.31 | Binding ≤ 10μM |
| KC1D-1-E | Casein Kinase I Delta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3050 | 0.31 | Binding ≤ 10μM |
| KC1E-1-E | Casein Kinase I Epsilon (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3050 | 0.31 | Binding ≤ 10μM |
| KC1G1-1-E | Casein Kinase I Gamma 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3050 | 0.31 | Binding ≤ 10μM |
| KC1G2-1-E | Casein Kinase I Gamma 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3050 | 0.31 | Binding ≤ 10μM |
| VGFR2-2-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3500 | 0.31 | Binding ≤ 10μM |
| Z104294-1-O | Cyclin-dependent Kinase 5/CDK5 Activator 1 (cluster #1 Of 2), Other | Other | 3 | 0.48 | Binding ≤ 10μM |
| Z104295-1-O | Cyclin-dependent Kinase 4/cyclin D1 (cluster #1 Of 2), Other | Other | 308 | 0.36 | Binding ≤ 10μM |
| Z80018-2-O | A-375 (Malignant Melanoma Cells) (cluster #2 Of 4), Other | Other | 28 | 0.42 | Functional ≤ 10μM |
| Z80566-1-O | U-937 (Histiocytic Lymphoma Cells) (cluster #1 Of 2), Other | Other | 31 | 0.42 | Functional ≤ 10μM |
| Z80928-3-O | HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other | Other | 23 | 0.43 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 33 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCNA1_HUMAN | P78396 | Cyclin A1, Human | 7 | 0.46 | Binding ≤ 1μM |
| CCNA2_HUMAN | P20248 | Cyclin A2, Human | 7 | 0.46 | Binding ≤ 1μM |
| CCNH_HUMAN | P51946 | Cyclin H, Human | 126 | 0.39 | Binding ≤ 1μM |
| CDK1_HUMAN | P06493 | Cyclin-dependent Kinase 1, Human | 21 | 0.43 | Binding ≤ 1μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 7 | 0.46 | Binding ≤ 1μM |
| Z104295 | Z104295 | Cyclin-dependent Kinase 4/cyclin D1 | 308 | 0.36 | Binding ≤ 1μM |
| Z104294 | Z104294 | Cyclin-dependent Kinase 5/CDK5 Activator 1 | 3 | 0.48 | Binding ≤ 1μM |
| CDK6_HUMAN | Q00534 | Cyclin-dependent Kinase 6, Human | 356 | 0.36 | Binding ≤ 1μM |
| CDK7_HUMAN | P50613 | Cyclin-dependent Kinase 7, Human | 126 | 0.39 | Binding ≤ 1μM |
| CCND3_HUMAN | P30281 | G1/S-specific Cyclin D3, Human | 356 | 0.36 | Binding ≤ 1μM |
| CCNB1_HUMAN | P14635 | G2/mitotic-specific Cyclin B1, Human | 21 | 0.43 | Binding ≤ 1μM |
| CCNB2_HUMAN | O95067 | G2/mitotic-specific Cyclin B2, Human | 21 | 0.43 | Binding ≤ 1μM |
| CCNB3_HUMAN | Q8WWL7 | G2/mitotic-specific Cyclin B3, Human | 21 | 0.43 | Binding ≤ 1μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 20 | 0.43 | Binding ≤ 1μM |
| GSK3B_RAT | P18266 | Glycogen Synthase Kinase-3 Beta, Rat | 20 | 0.43 | Binding ≤ 1μM |
| KC1A_HUMAN | P48729 | Casein Kinase I Alpha, Human | 3050 | 0.31 | Binding ≤ 10μM |
| KC1D_HUMAN | P48730 | Casein Kinase I Delta, Human | 3050 | 0.31 | Binding ≤ 10μM |
| KC1E_HUMAN | P49674 | Casein Kinase I Epsilon, Human | 3050 | 0.31 | Binding ≤ 10μM |
| KC1G1_HUMAN | Q9HCP0 | Casein Kinase I Gamma 1, Human | 3050 | 0.31 | Binding ≤ 10μM |
| KC1G2_HUMAN | P78368 | Casein Kinase I Gamma 2, Human | 3050 | 0.31 | Binding ≤ 10μM |
| CCNA1_HUMAN | P78396 | Cyclin A1, Human | 7 | 0.46 | Binding ≤ 10μM |
| CCNA2_HUMAN | P20248 | Cyclin A2, Human | 7 | 0.46 | Binding ≤ 10μM |
| CCNH_HUMAN | P51946 | Cyclin H, Human | 126 | 0.39 | Binding ≤ 10μM |
| CDK1_HUMAN | P06493 | Cyclin-dependent Kinase 1, Human | 21 | 0.43 | Binding ≤ 10μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 7 | 0.46 | Binding ≤ 10μM |
| Z104295 | Z104295 | Cyclin-dependent Kinase 4/cyclin D1 | 308 | 0.36 | Binding ≤ 10μM |
| Z104294 | Z104294 | Cyclin-dependent Kinase 5/CDK5 Activator 1 | 3 | 0.48 | Binding ≤ 10μM |
| CDK6_HUMAN | Q00534 | Cyclin-dependent Kinase 6, Human | 356 | 0.36 | Binding ≤ 10μM |
| CDK7_HUMAN | P50613 | Cyclin-dependent Kinase 7, Human | 126 | 0.39 | Binding ≤ 10μM |
| CCND3_HUMAN | P30281 | G1/S-specific Cyclin D3, Human | 356 | 0.36 | Binding ≤ 10μM |
| CCNB1_HUMAN | P14635 | G2/mitotic-specific Cyclin B1, Human | 21 | 0.43 | Binding ≤ 10μM |
| CCNB2_HUMAN | O95067 | G2/mitotic-specific Cyclin B2, Human | 21 | 0.43 | Binding ≤ 10μM |
| CCNB3_HUMAN | Q8WWL7 | G2/mitotic-specific Cyclin B3, Human | 21 | 0.43 | Binding ≤ 10μM |
| GSK3B_RAT | P18266 | Glycogen Synthase Kinase-3 Beta, Rat | 20 | 0.43 | Binding ≤ 10μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 20 | 0.43 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 3500 | 0.31 | Binding ≤ 10μM |
| Z80018 | Z80018 | A-375 (Malignant Melanoma Cells) | 28 | 0.42 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 23 | 0.43 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 33 | 0.42 | Functional ≤ 10μM |
| Z80566 | Z80566 | U-937 (Histiocytic Lymphoma Cells) | 31 | 0.42 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of NIMA Kinases NEK9, NEK6, NEK7 | |
| Activation of the pre-replicative complex | |
| AKT phosphorylates targets in the cytosol | |
| APC truncation mutants have impaired AXIN binding | |
| APC/C:Cdc20 mediated degradation of Cyclin B | |
| AXIN missense mutants destabilize the destruction complex | |
| Beta-catenin phosphorylation cascade | |
| CDK-mediated phosphorylation and removal of Cdc6 | |
| Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex | |
| Circadian Clock | |
| Condensation of Prometaphase Chromosomes | |
| Condensation of Prophase Chromosomes | |
| 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 B2 mediated events | |
| Cyclin D associated events in G1 | |
| Cyclin E associated events during G1/S transition | |
| 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 | |
| Dual incision reaction in GG-NER | |
| Dual incision reaction in TC-NER | |
| E2F mediated regulation of DNA replication | |
| E2F-enabled inhibition of pre-replication complex formation | |
| EPHA-mediated growth cone collapse | |
| ERK1 activation | |
| 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 incision complex in GG-NER | |
| Formation of RNA Pol II elongation complex | |
| Formation of the Early Elongation Complex | |
| Formation of the HIV-1 Early Elongation Complex | |
| Formation of transcription-coupled NER (TC-NER) repair complex | |
| G0 and Early G1 | |
| G1/S-Specific Transcription | |
| G2 Phase | |
| G2/M DNA replication checkpoint | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| HIV Transcription Initiation | |
| Integrin cell surface interactions | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| MASTL Facilitates Mitotic Progression | |
| Meiotic recombination | |
| misspliced GSK3beta mutants stabilize beta-catenin | |
| mRNA Capping | |
| Neurophilin interactions with VEGF and VEGFR | |
| NoRC negatively regulates rRNA expression | |
| Nuclear Pore Complex (NPC) Disassembly | |
| Oncogene Induced Senescence | |
| Orc1 removal from chromatin | |
| Oxidative Stress Induced Senescence | |
| 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 | |
| Polo-like kinase mediated events | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Recruitment of NuMA to mitotic centrosomes | |
| 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 | |
| Resolution of Sister Chromatid Cohesion | |
| RNA Pol II CTD phosphorylation and interaction with CE | |
| RNA Polymerase I Chain Elongation | |
| RNA Polymerase I Promoter Escape | |
| RNA Polymerase I Transcription Initiation | |
| RNA Polymerase I Transcription Termination | |
| RNA Polymerase II HIV Promoter Escape | |
| RNA Polymerase II Pre-transcription Events | |
| RNA Polymerase II Promoter Escape | |
| RNA Polymerase II Transcription Elongation | |
| RNA Polymerase II Transcription Initiation | |
| RNA Polymerase II Transcription Initiation And Promoter Clearance | |
| RNA Polymerase II Transcription Pre-Initiation And Promoter Opening | |
| 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) | |
| Sphingolipid de novo biosynthesis | |
| T41 mutants of beta-catenin aren't phosphorylated | |
| Tat-mediated elongation of the HIV-1 transcript | |
| Transcription of the HIV genome | |
| Transcriptional regulation of white adipocyte differentiation | |
| truncations of AMER1 destabilize the destruction complex | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation | |
| WNT mediated activation of DVL |
No pre-computed analogs available. Try a structural similarity search.