In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 26th, 2009 | 37 | 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) | 1.87 | 4.24 | -17.59 | 2 | 11 | 0 | 133 | 530.651 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.87 | 3.78 | -22.44 | 2 | 11 | 0 | 133 | 530.651 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.33 | 2.41 | -58.84 | 1 | 11 | -1 | 136 | 529.643 | 8 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PDE1A-1-E | Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10 | 0.30 | Binding ≤ 10μM |
PDE1B-1-E | Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10 | 0.30 | Binding ≤ 10μM |
PDE1C-1-E | Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10 | 0.30 | Binding ≤ 10μM |
PDE5A-1-E | Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1 | 0.34 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PDE1A_HUMAN | P54750 | Phosphodiesterase 1A, Human | 10 | 0.30 | Binding ≤ 1μM |
PDE1B_HUMAN | Q01064 | Phosphodiesterase 1B, Human | 10 | 0.30 | Binding ≤ 1μM |
PDE1C_HUMAN | Q14123 | Phosphodiesterase 1C, Human | 10 | 0.30 | Binding ≤ 1μM |
PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 1 | 0.34 | Binding ≤ 1μM |
PDE1A_HUMAN | P54750 | Phosphodiesterase 1A, Human | 10 | 0.30 | Binding ≤ 10μM |
PDE1B_HUMAN | Q01064 | Phosphodiesterase 1B, Human | 10 | 0.30 | Binding ≤ 10μM |
PDE1C_HUMAN | Q14123 | Phosphodiesterase 1C, Human | 10 | 0.30 | Binding ≤ 10μM |
PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 1 | 0.34 | Binding ≤ 10μM |
Description | Species |
---|---|
Cam-PDE 1 activation | |
cGMP effects | |
G alpha (s) signalling events |