| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2006 | 20 | No |
Popular Name: Cdk4InhibitorIII Cdk4InhibitorIII
Find On: PubMed — Wikipedia — Google
CAS Number: 265312-55-8
| 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) | 2.98 | 6.12 | -11.29 | 1 | 4 | 0 | 59 | 284.34 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDK4-1-E | Cyclin-dependent Kinase 4 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6 | 0.58 | Binding ≤ 10μM |
| Z80156-2-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 1 | 0.63 | Functional ≤ 10μM |
| Z80783-1-O | COLO1 (cluster #1 Of 1), Other | Other | 1 | 0.63 | Functional ≤ 10μM |
| Z81020-4-O | HepG2 (Hepatoblastoma Cells) (cluster #4 Of 8), Other | Other | 1 | 0.63 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDK4_HUMAN | P11802 | Cyclin-dependent Kinase 4, Human | 6 | 0.58 | Binding ≤ 1μM |
| CDK4_HUMAN | P11802 | Cyclin-dependent Kinase 4, Human | 6 | 0.58 | Binding ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 0.61 | 0.65 | Functional ≤ 10μM |
| Z80783 | Z80783 | COLO1 | 1.08 | 0.63 | Functional ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 1.21 | 0.62 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 0.3 | 0.67 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Cyclin D associated events in G1 | |
| Meiotic recombination | |
| Oncogene Induced Senescence | |
| Oxidative Stress Induced Senescence | |
| RMTs methylate histone arginines | |
| 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.