| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 32 | Yes |
Popular Name: Cdk/CrkInhibitor Cdk/CrkInhibitor
Find On: PubMed — Wikipedia — Google
CAS Number: 784211-09-2
| 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) | 5.26 | 9.54 | -21.61 | 2 | 7 | 0 | 93 | 473.36 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.72 | 8.48 | -51.64 | 1 | 7 | -1 | 96 | 472.352 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCND3-1-E | G1/S-specific Cyclin D3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 282 | 0.29 | Binding ≤ 10μM |
| CCNH-1-E | Cyclin H (cluster #1 Of 1), Eukaryotic | Eukaryotes | 71 | 0.31 | Binding ≤ 10μM |
| CDK6-1-E | Cyclin-dependent Kinase 6 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 282 | 0.29 | Binding ≤ 10μM |
| CDK7-1-E | Cyclin-dependent Kinase 7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 71 | 0.31 | Binding ≤ 10μM |
| CDK9-1-E | Cyclin-dependent Kinase 9 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9 | 0.35 | Binding ≤ 10μM |
| GSK3B-1-E | Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic | Eukaryotes | 754 | 0.27 | Binding ≤ 10μM |
| MAT1-1-E | CDK-activating Kinase Assembly Factor MAT1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 71 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MAT1_HUMAN | P51948 | CDK-activating Kinase Assembly Factor MAT1, Human | 71 | 0.31 | Binding ≤ 1μM |
| CCNH_HUMAN | P51946 | Cyclin H, Human | 71 | 0.31 | Binding ≤ 1μM |
| CDK6_HUMAN | Q00534 | Cyclin-dependent Kinase 6, Human | 282 | 0.29 | Binding ≤ 1μM |
| CDK7_HUMAN | P50613 | Cyclin-dependent Kinase 7, Human | 71 | 0.31 | Binding ≤ 1μM |
| CDK9_HUMAN | P50750 | Cyclin-dependent Kinase 9, Human | 9 | 0.35 | Binding ≤ 1μM |
| CCND3_HUMAN | P30281 | G1/S-specific Cyclin D3, Human | 282 | 0.29 | Binding ≤ 1μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 754 | 0.27 | Binding ≤ 1μM |
| MAT1_HUMAN | P51948 | CDK-activating Kinase Assembly Factor MAT1, Human | 71 | 0.31 | Binding ≤ 10μM |
| CCNH_HUMAN | P51946 | Cyclin H, Human | 71 | 0.31 | Binding ≤ 10μM |
| CDK6_HUMAN | Q00534 | Cyclin-dependent Kinase 6, Human | 282 | 0.29 | Binding ≤ 10μM |
| CDK7_HUMAN | P50613 | Cyclin-dependent Kinase 7, Human | 71 | 0.31 | Binding ≤ 10μM |
| CDK9_HUMAN | P50750 | Cyclin-dependent Kinase 9, Human | 9 | 0.35 | Binding ≤ 10μM |
| CCND3_HUMAN | P30281 | G1/S-specific Cyclin D3, Human | 282 | 0.29 | Binding ≤ 10μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 754 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| AKT phosphorylates targets in the cytosol | |
| APC truncation mutants have impaired AXIN binding | |
| AXIN missense mutants destabilize the destruction complex | |
| Beta-catenin phosphorylation cascade | |
| 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 D associated events in G1 | |
| Cyclin E associated events during G1/S transition | |
| Degradation of beta-catenin by the destruction complex | |
| disassembly of the destruction complex and recruitment of AXIN to the membrane | |
| Dual incision reaction in GG-NER | |
| Dual incision reaction in TC-NER | |
| 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 | |
| HIV elongation arrest and recovery | |
| HIV Transcription Initiation | |
| Interactions of Tat with host cellular proteins | |
| misspliced GSK3beta mutants stabilize beta-catenin | |
| mRNA Capping | |
| NoRC negatively regulates rRNA expression | |
| Oncogene Induced Senescence | |
| Oxidative Stress Induced Senescence | |
| Pausing and recovery of HIV elongation | |
| Pausing and recovery of Tat-mediated HIV elongation | |
| Regulation of HSF1-mediated heat shock response | |
| 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 | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription | |
| T41 mutants of beta-catenin aren't phosphorylated | |
| Tat-mediated elongation of the HIV-1 transcript | |
| Tat-mediated HIV elongation arrest and recovery | |
| Transcription of the HIV genome | |
| Transcriptional regulation of white adipocyte differentiation | |
| truncations of AMER1 destabilize the destruction complex |
No pre-computed analogs available. Try a structural similarity search.