| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2011 | 24 | Yes |
| 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) | 2.73 | 7.75 | -8.02 | 3 | 8 | 0 | 104 | 348.773 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.73 | 8.12 | -35.26 | 4 | 8 | 1 | 106 | 349.781 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.73 | 8.12 | -37.05 | 4 | 8 | 1 | 106 | 349.781 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| JAK2-1-E | Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 58 | 0.42 | Binding ≤ 10μM |
| JAK3-2-E | Tyrosine-protein Kinase JAK3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1360 | 0.34 | Binding ≤ 10μM |
| NTRK1-1-E | Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.50 | Binding ≤ 10μM |
| STA5A-1-E | Signal Transducer And Activator Of Transcription 5A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 41 | 0.43 | Binding ≤ 10μM |
| STAT3-1-E | Signal Transducer And Activator Of Transcription 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 80 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NTRK1_HUMAN | P04629 | Nerve Growth Factor Receptor Trk-A, Human | 3 | 0.50 | Binding ≤ 1μM |
| STAT3_HUMAN | P40763 | Signal Transducer And Activator Of Transcription 3, Human | 23 | 0.45 | Binding ≤ 1μM |
| STA5A_HUMAN | P42229 | Signal Transducer And Activator Of Transcription 5A, Human | 25 | 0.44 | Binding ≤ 1μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 3 | 0.50 | Binding ≤ 1μM |
| NTRK1_HUMAN | P04629 | Nerve Growth Factor Receptor Trk-A, Human | 3 | 0.50 | Binding ≤ 10μM |
| STAT3_HUMAN | P40763 | Signal Transducer And Activator Of Transcription 3, Human | 23 | 0.45 | Binding ≤ 10μM |
| STA5A_HUMAN | P42229 | Signal Transducer And Activator Of Transcription 5A, Human | 25 | 0.44 | Binding ≤ 10μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 3 | 0.50 | Binding ≤ 10μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 1360 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| ARMS-mediated activation | |
| Downstream signal transduction | |
| Factors involved in megakaryocyte development and platelet production | |
| Frs2-mediated activation | |
| Growth hormone receptor signaling | |
| Interferon gamma signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-2 signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Interleukin-6 signaling | |
| Interleukin-7 signaling | |
| NGF-independant TRKA activation | |
| Nuclear signaling by ERBB4 | |
| PI3K/AKT activation | |
| PLC-gamma1 signalling | |
| POU5F1 (OCT4), SOX2, NANOG activate genes related to proliferation | |
| Prolactin receptor signaling | |
| Regulation of IFNG signaling | |
| Retrograde neurotrophin signalling | |
| RMTs methylate histone arginines | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Signaling by FGFR1 fusion mutants | |
| Signaling by Leptin | |
| Signaling by SCF-KIT | |
| Signalling to p38 via RIT and RIN | |
| Signalling to RAS | |
| Signalling to STAT3 | |
| Transcriptional regulation of pluripotent stem cells | |
| TRKA activation by NGF |
No pre-computed analogs available. Try a structural similarity search.