| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2011 | 28 | Yes |
Popular Name: (2S,3S)-3-(7-(benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-ylamino)butane-1,2,4-triol (2S,3S)-3-(7-(benzylamino)-3-iso…
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CAS Number: 1092443-55-4
| 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) | 1.20 | 1.79 | -12.19 | 5 | 8 | 0 | 115 | 385.468 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCNH-1-E | Cyclin H (cluster #1 Of 1), Eukaryotic | Eukaryotes | 250 | 0.33 | Binding ≤ 10μM |
| CCNT1-1-E | Cyclin T1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 90 | 0.35 | Binding ≤ 10μM |
| CDK5-1-E | Cyclin-dependent Kinase 5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.38 | Binding ≤ 10μM |
| CDK7-1-E | Cyclin-dependent Kinase 7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 250 | 0.33 | Binding ≤ 10μM |
| CDK9-1-E | Cyclin-dependent Kinase 9 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 90 | 0.35 | Binding ≤ 10μM |
| DYR1A-3-E | Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 2100 | 0.28 | Binding ≤ 10μM |
| INSRR-1-E | Insulin Receptor-related Protein (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1800 | 0.29 | Binding ≤ 10μM |
| KC1A-1-E | Casein Kinase I Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1040 | 0.30 | Binding ≤ 10μM |
| KKCC2-1-E | CaM-kinase Kinase Beta (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2450 | 0.28 | Binding ≤ 10μM |
| MAT1-1-E | CDK-activating Kinase Assembly Factor MAT1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 250 | 0.33 | Binding ≤ 10μM |
| MK01-1-E | Mitogen-activated Protein Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3110 | 0.28 | Binding ≤ 10μM |
| MK03-1-E | MAP Kinase ERK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3730 | 0.27 | Binding ≤ 10μM |
| MK15-1-E | Mitogen-activated Protein Kinase 15 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 330 | 0.32 | Binding ≤ 10μM |
| Z104296-1-O | Cyclin-dependent Kinase 1/cyclin B1 (cluster #1 Of 2), Other | Other | 33 | 0.37 | Binding ≤ 10μM |
| Z104299-1-O | Cyclin-dependent Kinase 2/cyclin E1 (cluster #1 Of 1), Other | Other | 3 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MAT1_HUMAN | P51948 | CDK-activating Kinase Assembly Factor MAT1, Human | 250 | 0.33 | Binding ≤ 1μM |
| CCNH_HUMAN | P51946 | Cyclin H, Human | 250 | 0.33 | Binding ≤ 1μM |
| CCNT1_HUMAN | O60563 | Cyclin T1, Human | 30 | 0.38 | Binding ≤ 1μM |
| Z104296 | Z104296 | Cyclin-dependent Kinase 1/cyclin B1 | 33 | 0.37 | Binding ≤ 1μM |
| Z104299 | Z104299 | Cyclin-dependent Kinase 2/cyclin E1 | 3 | 0.43 | Binding ≤ 1μM |
| CDK5_HUMAN | Q00535 | Cyclin-dependent Kinase 5, Human | 30 | 0.38 | Binding ≤ 1μM |
| CDK7_HUMAN | P50613 | Cyclin-dependent Kinase 7, Human | 250 | 0.33 | Binding ≤ 1μM |
| CDK9_HUMAN | P50750 | Cyclin-dependent Kinase 9, Human | 90 | 0.35 | Binding ≤ 1μM |
| MK15_HUMAN | Q8TD08 | Mitogen-activated Protein Kinase 15, Human | 330 | 0.32 | Binding ≤ 1μM |
| KKCC2_HUMAN | Q96RR4 | CaM-kinase Kinase Beta, Human | 2450 | 0.28 | Binding ≤ 10μM |
| KC1A_HUMAN | P48729 | Casein Kinase I Alpha, Human | 1040 | 0.30 | Binding ≤ 10μM |
| MAT1_HUMAN | P51948 | CDK-activating Kinase Assembly Factor MAT1, Human | 250 | 0.33 | Binding ≤ 10μM |
| CCNH_HUMAN | P51946 | Cyclin H, Human | 250 | 0.33 | Binding ≤ 10μM |
| CCNT1_HUMAN | O60563 | Cyclin T1, Human | 30 | 0.38 | Binding ≤ 10μM |
| Z104296 | Z104296 | Cyclin-dependent Kinase 1/cyclin B1 | 33 | 0.37 | Binding ≤ 10μM |
| Z104299 | Z104299 | Cyclin-dependent Kinase 2/cyclin E1 | 3 | 0.43 | Binding ≤ 10μM |
| CDK5_HUMAN | Q00535 | Cyclin-dependent Kinase 5, Human | 30 | 0.38 | Binding ≤ 10μM |
| CDK7_HUMAN | P50613 | Cyclin-dependent Kinase 7, Human | 250 | 0.33 | Binding ≤ 10μM |
| CDK9_HUMAN | P50750 | Cyclin-dependent Kinase 9, Human | 90 | 0.35 | Binding ≤ 10μM |
| DYR1A_HUMAN | Q13627 | Dual-specificity Tyrosine-phosphorylation Regulated Kinase 1A, Human | 2100 | 0.28 | Binding ≤ 10μM |
| INSRR_HUMAN | P14616 | Insulin Receptor-related Protein, Human | 1800 | 0.29 | Binding ≤ 10μM |
| MK03_HUMAN | P27361 | MAP Kinase ERK1, Human | 3730 | 0.27 | Binding ≤ 10μM |
| MK01_HUMAN | P28482 | MAP Kinase ERK2, Human | 3110 | 0.28 | Binding ≤ 10μM |
| MK15_HUMAN | Q8TD08 | Mitogen-activated Protein Kinase 15, Human | 330 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of the AP-1 family of transcription factors | |
| Advanced glycosylation endproduct receptor signaling | |
| APC truncation mutants have impaired AXIN binding | |
| AXIN missense mutants destabilize the destruction complex | |
| Beta-catenin phosphorylation cascade | |
| CREB phosphorylation through the activation of Ras | |
| 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 | |
| DARPP-32 events | |
| 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 | |
| ERK/MAPK targets | |
| ERK1 activation | |
| ERK2 activation | |
| ERKs are inactivated | |
| Factors involved in megakaryocyte development and platelet production | |
| FCERI mediated MAPK activation | |
| 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 | |
| G0 and Early G1 | |
| Gastrin-CREB signalling pathway via PKC and MAPK | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| Growth hormone receptor signaling | |
| HIV elongation arrest and recovery | |
| HIV Transcription Initiation | |
| Interactions of Tat with host cellular proteins | |
| ISG15 antiviral mechanism | |
| misspliced GSK3beta mutants stabilize beta-catenin | |
| mRNA Capping | |
| NCAM signaling for neurite out-growth | |
| Negative regulation of FGFR signaling | |
| 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 | |
| phospho-PLA2 pathway | |
| Recycling pathway of L1 | |
| Regulation of actin dynamics for phagocytic cup formation | |
| 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 Promoter Opening | |
| 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 | |
| RSK activation | |
| 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) | |
| Signal attenuation | |
| Signal transduction by L1 | |
| Signaling by FGFR | |
| 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 | |
| Thrombin signalling through proteinase activated receptors (PARs) | |
| Transcription of the HIV genome | |
| truncations of AMER1 destabilize the destruction complex |
No pre-computed analogs available. Try a structural similarity search.