| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2005 | 28 | Yes |
Popular Name: LS-36097 LS-36097
| 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) | 4.26 | 1.13 | -58.21 | 0 | 7 | -1 | 104 | 367.344 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4A-1-E | Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 602 | 0.31 | Binding ≤ 10μM |
| PDE4B-2-E | Phosphodiesterase 4B (cluster #2 Of 2), Eukaryotic | Eukaryotes | 34 | 0.37 | Binding ≤ 10μM |
| PDE4C-2-E | Phosphodiesterase 4C (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1230 | 0.30 | Binding ≤ 10μM |
| PDE4D-2-E | Phosphodiesterase 4D (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2 | 0.43 | Binding ≤ 10μM |
| Z100081-1-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other | Other | 68 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 1 | 0.45 | Binding ≤ 1μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 1 | 0.45 | Binding ≤ 1μM |
| PDE4C_HUMAN | Q08493 | Phosphodiesterase 4C, Human | 1 | 0.45 | Binding ≤ 1μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 1 | 0.45 | Binding ≤ 1μM |
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 1 | 0.45 | Binding ≤ 10μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 1 | 0.45 | Binding ≤ 10μM |
| PDE4C_HUMAN | Q08493 | Phosphodiesterase 4C, Human | 1 | 0.45 | Binding ≤ 10μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 1 | 0.45 | Binding ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 68 | 0.36 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| DARPP-32 events | |
| G alpha (s) signalling events |
No pre-computed analogs available. Try a structural similarity search.