| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 27th, 2008 | 23 | No |
| 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) | 3.64 | 8.51 | -21.23 | 1 | 4 | 0 | 63 | 307.349 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Others | Selleck Chemicals |
| Target | PTEN | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATL1-5-E | Cathepsin L (cluster #5 Of 5), Eukaryotic | Eukaryotes | 500 | 0.38 | Binding ≤ 10μM |
| CATS-2-E | Cathepsin S (cluster #2 Of 2), Eukaryotic | Eukaryotes | 400 | 0.39 | Binding ≤ 10μM |
| LCK-1-E | Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3800 | 0.33 | Binding ≤ 10μM |
| PTN13-1-E | Protein-tyrosine Phosphatase 1E (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7000 | 0.31 | Binding ≤ 10μM |
| PTPRC-3-E | Leukocyte Common Antigen (cluster #3 Of 3), Eukaryotic | Eukaryotes | 3800 | 0.33 | Binding ≤ 10μM |
| Z81338-1-O | T-cells (cluster #1 Of 3), Other | Other | 100 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 500 | 0.38 | Binding ≤ 1μM |
| CATS_HUMAN | P25774 | Cathepsin S, Human | 400 | 0.39 | Binding ≤ 1μM |
| PTPRC_HUMAN | P08575 | Leukocyte Common Antigen, Human | 200 | 0.41 | Binding ≤ 1μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 500 | 0.38 | Binding ≤ 10μM |
| CATS_HUMAN | P25774 | Cathepsin S, Human | 400 | 0.39 | Binding ≤ 10μM |
| PTPRC_HUMAN | P08575 | Leukocyte Common Antigen, Human | 200 | 0.41 | Binding ≤ 10μM |
| PTN13_HUMAN | Q12923 | Protein-tyrosine Phosphatase 1E, Human | 7000 | 0.31 | Binding ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 3800 | 0.33 | Binding ≤ 10μM |
| Z81338 | Z81338 | T-cells | 100 | 0.43 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Assembly of collagen fibrils and other multimeric structures | |
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| Collagen degradation | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CTLA4 inhibitory signaling | |
| DAP12 signaling | |
| Degradation of the extracellular matrix | |
| Downstream TCR signaling | |
| Endosomal/Vacuolar pathway | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| Interleukin-2 signaling | |
| MHC class II antigen presentation | |
| Nef and signal transduction | |
| Nef Mediated CD4 Down-regulation | |
| Other semaphorin interactions | |
| PD-1 signaling | |
| PECAM1 interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| PIP3 activates AKT signaling | |
| Regulation of KIT signaling | |
| Signaling by SCF-KIT | |
| Trafficking and processing of endosomal TLR | |
| Translocation of ZAP-70 to Immunological synapse |
No pre-computed analogs available. Try a structural similarity search.