| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2004 | 34 | Yes |
Popular Name: 2-[[3-carbethoxy-4-(4-phenylphenyl)-2-thienyl]carbamoyl]benzoate 2-[[3-carbethoxy-4-(4-phenylphen…
| 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) | 5.79 | 1.39 | -62.88 | 1 | 6 | -1 | 95 | 470.526 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN1-1-E | Protein-tyrosine Phosphatase 1B (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3200 | 0.23 | Binding ≤ 10μM |
| PTN2-1-E | T-cell Protein-tyrosine Phosphatase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 7000 | 0.21 | Binding ≤ 10μM |
| PTPRC-1-E | Leukocyte Common Antigen (cluster #1 Of 3), Eukaryotic | Eukaryotes | 9700 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTPRC_HUMAN | P08575 | Leukocyte Common Antigen, Human | 9700 | 0.21 | Binding ≤ 10μM |
| PTN1_HUMAN | P18031 | Protein-tyrosine Phosphatase 1B, Human | 3200 | 0.23 | Binding ≤ 10μM |
| PTN2_HUMAN | P17706 | T-cell Protein-tyrosine Phosphatase, Human | 7000 | 0.21 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Growth hormone receptor signaling | |
| Integrin alphaIIb beta3 signaling | |
| Other semaphorin interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling |
