| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2005 | 33 | Yes |
Popular Name: PD-0332991 PD-0332991
Find On: PubMed — Wikipedia — Google
CAS Numbers: 571189-11-2 , 571190-30-2 , 827022-32-2 , 827022-32-2, 571190-30-2 (free base) , 827022-32-2? , 827022-33-3 , [571189-11-2] , [571190-30-2]
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one
PD 332991, PD 0332991, PD0332991
| 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) | 2.96 | -3.64 | -53.08 | 3 | 9 | 1 | 109 | 448.551 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.96 | -3.72 | -102.89 | 4 | 9 | 2 | 110 | 449.559 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | CDK | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCND1-1-E | G1/S-specific Cyclin D1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 11 | 0.34 | Binding ≤ 10μM |
| CCND2-1-E | G1/S-specific Cyclin D2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 11 | 0.34 | Binding ≤ 10μM |
| CCND3-1-E | G1/S-specific Cyclin D3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 11 | 0.34 | Binding ≤ 10μM |
| CDK4-2-E | Cyclin-dependent Kinase 4 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 20 | 0.33 | Binding ≤ 10μM |
| CDK6-1-E | Cyclin-dependent Kinase 6 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 16 | 0.33 | Binding ≤ 10μM |
| Z81245-1-O | MDA-MB-435 (Breast Carcinoma Cells) (cluster #1 Of 6), Other | Other | 160 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDK4_HUMAN | P11802 | Cyclin-dependent Kinase 4, Human | 11 | 0.34 | Binding ≤ 1μM |
| CDK6_HUMAN | Q00534 | Cyclin-dependent Kinase 6, Human | 16 | 0.33 | Binding ≤ 1μM |
| CCND1_HUMAN | P24385 | G1/S-specific Cyclin D1, Human | 11 | 0.34 | Binding ≤ 1μM |
| CCND2_HUMAN | P30279 | G1/S-specific Cyclin D2, Human | 11 | 0.34 | Binding ≤ 1μM |
| CCND3_HUMAN | P30281 | G1/S-specific Cyclin D3, Human | 11 | 0.34 | Binding ≤ 1μM |
| CDK4_HUMAN | P11802 | Cyclin-dependent Kinase 4, Human | 11 | 0.34 | Binding ≤ 10μM |
| CDK6_HUMAN | Q00534 | Cyclin-dependent Kinase 6, Human | 16 | 0.33 | Binding ≤ 10μM |
| CCND1_HUMAN | P24385 | G1/S-specific Cyclin D1, Human | 11 | 0.34 | Binding ≤ 10μM |
| CCND2_HUMAN | P30279 | G1/S-specific Cyclin D2, Human | 11 | 0.34 | Binding ≤ 10μM |
| CCND3_HUMAN | P30281 | G1/S-specific Cyclin D3, Human | 11 | 0.34 | Binding ≤ 10μM |
| Z81245 | Z81245 | MDA-MB-435 (Breast Carcinoma Cells) | 160 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Cyclin D associated events in G1 | |
| Meiotic recombination | |
| Oncogene Induced Senescence | |
| Oxidative Stress Induced Senescence | |
| Pre-NOTCH Transcription and Translation | |
| RMTs methylate histone arginines | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Transcriptional regulation of white adipocyte differentiation | |
| Ubiquitin-dependent degradation of Cyclin D1 |
