In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 34 | Yes |
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) | 2.51 | 5.47 | -10.17 | 1 | 9 | 0 | 85 | 484.626 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.51 | 7.8 | -48.07 | 2 | 9 | 1 | 86 | 485.634 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PDE4A-1-E | Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 63 | 0.30 | Binding ≤ 10μM |
PDE4B-1-E | Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 26 | 0.31 | Binding ≤ 10μM |
PDE4D-1-E | Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic | Eukaryotes | 604 | 0.26 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 63 | 0.30 | Binding ≤ 1μM |
PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 26 | 0.31 | Binding ≤ 1μM |
PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 604 | 0.26 | Binding ≤ 1μM |
PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 63 | 0.30 | Binding ≤ 10μM |
PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 26 | 0.31 | Binding ≤ 10μM |
PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 604 | 0.26 | Binding ≤ 10μM |
Description | Species |
---|---|
DARPP-32 events | |
G alpha (s) signalling events |