In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2005 | 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) | 2.48 | 2.33 | -17.11 | 0 | 7 | 0 | 78 | 320.393 | 8 | ↓ |
Mid Mid (pH 6-8) | -2.00 | 2.61 | -51.99 | 1 | 7 | 1 | 80 | 321.401 | 8 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PDE4A-3-E | Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 170 | 0.41 | Binding ≤ 10μM |
PDE4B-2-E | Phosphodiesterase 4B (cluster #2 Of 2), Eukaryotic | Eukaryotes | 170 | 0.41 | Binding ≤ 10μM |
PDE4C-2-E | Phosphodiesterase 4C (cluster #2 Of 2), Eukaryotic | Eukaryotes | 170 | 0.41 | Binding ≤ 10μM |
PDE4D-2-E | Phosphodiesterase 4D (cluster #2 Of 2), Eukaryotic | Eukaryotes | 170 | 0.41 | Binding ≤ 10μM |
Z50512-5-O | Cavia Porcellus (cluster #5 Of 7), Other | Other | 10 | 0.49 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 0.17 | 0.59 | Binding ≤ 1μM |
PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 0.17 | 0.59 | Binding ≤ 1μM |
PDE4C_HUMAN | Q08493 | Phosphodiesterase 4C, Human | 0.17 | 0.59 | Binding ≤ 1μM |
PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 0.17 | 0.59 | Binding ≤ 1μM |
PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 0.17 | 0.59 | Binding ≤ 10μM |
PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 0.17 | 0.59 | Binding ≤ 10μM |
PDE4C_HUMAN | Q08493 | Phosphodiesterase 4C, Human | 0.17 | 0.59 | Binding ≤ 10μM |
PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 0.17 | 0.59 | Binding ≤ 10μM |
Z50512 | Z50512 | Cavia Porcellus | 10 | 0.49 | Functional ≤ 10μM |
Description | Species |
---|---|
DARPP-32 events | |
G alpha (s) signalling events |