| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 17 | No |
Popular Name: 2-aminophenanthrene-9,10-dione 2-aminophenanthrene-9,10-dione
Find On: PubMed — Wikipedia — Google
CAS Number: 36043-49-9
| 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) | 1.83 | 5.46 | -11.78 | 2 | 3 | 0 | 60 | 223.231 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATL1-5-E | Cathepsin L (cluster #5 Of 5), Eukaryotic | Eukaryotes | 600 | 0.51 | Binding ≤ 10μM |
| CATS-2-E | Cathepsin S (cluster #2 Of 2), Eukaryotic | Eukaryotes | 6000 | 0.43 | Binding ≤ 10μM |
| PTN13-1-E | Protein-tyrosine Phosphatase 1E (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4700 | 0.44 | Binding ≤ 10μM |
| PTPRC-3-E | Leukocyte Common Antigen (cluster #3 Of 3), Eukaryotic | Eukaryotes | 400 | 0.53 | Binding ≤ 10μM |
| Z81338-1-O | T-cells (cluster #1 Of 3), Other | Other | 200 | 0.55 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 600 | 0.51 | Binding ≤ 1μM |
| PTPRC_HUMAN | P08575 | Leukocyte Common Antigen, Human | 400 | 0.53 | Binding ≤ 1μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 600 | 0.51 | Binding ≤ 10μM |
| CATS_HUMAN | P25774 | Cathepsin S, Human | 6000 | 0.43 | Binding ≤ 10μM |
| PTPRC_HUMAN | P08575 | Leukocyte Common Antigen, Human | 2300 | 0.46 | Binding ≤ 10μM |
| PTN13_HUMAN | Q12923 | Protein-tyrosine Phosphatase 1E, Human | 4700 | 0.44 | Binding ≤ 10μM |
| Z81338 | Z81338 | T-cells | 200 | 0.55 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Assembly of collagen fibrils and other multimeric structures | |
| Collagen degradation | |
| Degradation of the extracellular matrix | |
| Endosomal/Vacuolar pathway | |
| MHC class II antigen presentation | |
| Other semaphorin interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| Trafficking and processing of endosomal TLR |
