| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 27 | No |
Popular Name: (4Z)-4-[[(4-hydroxy-5-propoxy-2-pyridyl)methylamino]methylene]-6-iodo-isoquinoline-1,3-dione (4Z)-4-[[(4-hydroxy-5-propoxy-2-…
| 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) | 2.21 | 6.55 | -28.23 | 3 | 7 | 0 | 104 | 479.274 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDK2-1-E | Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 1600 | 0.30 | Binding ≤ 10μM |
| CDK4-2-E | Cyclin-dependent Kinase 4 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 30 | 0.39 | Binding ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 880 | 0.31 | Functional ≤ 10μM |
| Z80928-1-O | HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other | Other | 730 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDK4_HUMAN | P11802 | Cyclin-dependent Kinase 4, Human | 30 | 0.39 | Binding ≤ 1μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 1600 | 0.30 | Binding ≤ 10μM |
| CDK4_HUMAN | P11802 | Cyclin-dependent Kinase 4, Human | 30 | 0.39 | Binding ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 730 | 0.32 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 880 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of the pre-replicative complex | |
| CDK-mediated phosphorylation and removal of Cdc6 | |
| 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 | |
| DNA Damage/Telomere Stress Induced Senescence | |
| Factors involved in megakaryocyte development and platelet production | |
| G0 and Early G1 | |
| G2 Phase | |
| Meiotic recombination | |
| Oncogene Induced Senescence | |
| Orc1 removal from chromatin | |
| Oxidative Stress Induced Senescence | |
| 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 | |
| RMTs methylate histone arginines | |
| SCF(Skp2)-mediated degradation of p27/p21 | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Transcriptional regulation of white adipocyte differentiation | |
| Ubiquitin-dependent degradation of Cyclin D1 |
No pre-computed analogs available. Try a structural similarity search.