| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2008 | 18 | Yes |
Popular Name: DNC008292 DNC008292
| 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) | 0.72 | 4.85 | -14.34 | 3 | 6 | 0 | 90 | 241.254 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | 5.12 | -39.43 | 4 | 6 | 1 | 91 | 242.262 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 8.23e-01 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCNA2-1-E | Cyclin A2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 11 | 0.62 | Binding ≤ 10μM |
| CCNT1-1-E | Cyclin T1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.64 | Binding ≤ 10μM |
| CDK2-5-E | Cyclin-dependent Kinase 2 (cluster #5 Of 5), Eukaryotic | Eukaryotes | 11 | 0.62 | Binding ≤ 10μM |
| CDK9-1-E | Cyclin-dependent Kinase 9 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6 | 0.64 | Binding ≤ 10μM |
| DYR1A-1-E | Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 29 | 0.59 | Binding ≤ 10μM |
| Z104294-1-O | Cyclin-dependent Kinase 5/CDK5 Activator 1 (cluster #1 Of 2), Other | Other | 170 | 0.53 | Binding ≤ 10μM |
| Z80140-1-O | GBM (cluster #1 Of 1), Other | Other | 140 | 0.53 | Functional ≤ 10μM |
| Z80928-2-O | HCT-116 (Colon Carcinoma Cells) (cluster #2 Of 9), Other | Other | 63 | 0.56 | Functional ≤ 10μM |
| Z80936-1-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other | Other | 240 | 0.51 | Functional ≤ 10μM |
| Z81186-2-O | LS174T (Colon Adencocarcinoma Cells) (cluster #2 Of 2), Other | Other | 130 | 0.54 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCNA2_HUMAN | P20248 | Cyclin A2, Human | 11 | 0.62 | Binding ≤ 1μM |
| CCNT1_HUMAN | O60563 | Cyclin T1, Human | 6 | 0.64 | Binding ≤ 1μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 11 | 0.62 | Binding ≤ 1μM |
| Z104294 | Z104294 | Cyclin-dependent Kinase 5/CDK5 Activator 1 | 170 | 0.53 | Binding ≤ 1μM |
| CDK9_HUMAN | P50750 | Cyclin-dependent Kinase 9, Human | 6 | 0.64 | Binding ≤ 1μM |
| DYR1A_RAT | Q63470 | Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1A, Rat | 29 | 0.59 | Binding ≤ 1μM |
| CCNA2_HUMAN | P20248 | Cyclin A2, Human | 11 | 0.62 | Binding ≤ 10μM |
| CCNT1_HUMAN | O60563 | Cyclin T1, Human | 6 | 0.64 | Binding ≤ 10μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 11 | 0.62 | Binding ≤ 10μM |
| Z104294 | Z104294 | Cyclin-dependent Kinase 5/CDK5 Activator 1 | 170 | 0.53 | Binding ≤ 10μM |
| CDK9_HUMAN | P50750 | Cyclin-dependent Kinase 9, Human | 6 | 0.64 | Binding ≤ 10μM |
| DYR1A_RAT | Q63470 | Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1A, Rat | 29 | 0.59 | Binding ≤ 10μM |
| Z80140 | Z80140 | GBM | 140 | 0.53 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 63 | 0.56 | Functional ≤ 10μM |
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 240 | 0.51 | Functional ≤ 10μM |
| Z81186 | Z81186 | LS174T (Colon Adencocarcinoma Cells) | 130 | 0.54 | 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 E associated events during G1/S transition | |
| DNA Damage/Telomere Stress Induced Senescence | |
| 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 | |
| HIV elongation arrest and recovery | |
| Interactions of Tat with host cellular proteins | |
| Meiotic recombination | |
| Orc1 removal from chromatin | |
| p53-Dependent G1 DNA Damage Response | |
| Pausing and recovery of HIV elongation | |
| Pausing and recovery of Tat-mediated HIV elongation | |
| 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 | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| RNA Polymerase II Pre-transcription Events | |
| RNA Polymerase II Transcription Elongation | |
| SCF(Skp2)-mediated degradation of p27/p21 | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription | |
| Tat-mediated elongation of the HIV-1 transcript | |
| Tat-mediated HIV elongation arrest and recovery |
