In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 25th, 2009 | 33 | 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) | 2.18 | 5.65 | -15.7 | 1 | 10 | 0 | 113 | 474.587 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.64 | 3.87 | -56.91 | 0 | 10 | -1 | 116 | 473.579 | 7 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PDE1A-1-E | Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 300 | 0.28 | Binding ≤ 10μM |
PDE1B-1-E | Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 300 | 0.28 | Binding ≤ 10μM |
PDE1C-1-E | Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic | Eukaryotes | 300 | 0.28 | Binding ≤ 10μM |
PDE5A-1-E | Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.37 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PDE1A_HUMAN | P54750 | Phosphodiesterase 1A, Human | 300 | 0.28 | Binding ≤ 1μM |
PDE1A_BOVIN | P14100 | Phosphodiesterase 1A, Bovin | 300 | 0.28 | Binding ≤ 1μM |
PDE1B_HUMAN | Q01064 | Phosphodiesterase 1B, Human | 300 | 0.28 | Binding ≤ 1μM |
PDE1B_BOVIN | Q01061 | Phosphodiesterase 1B, Bovin | 300 | 0.28 | Binding ≤ 1μM |
PDE1C_HUMAN | Q14123 | Phosphodiesterase 1C, Human | 300 | 0.28 | Binding ≤ 1μM |
PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 0.6 | 0.39 | Binding ≤ 1μM |
PDE1A_HUMAN | P54750 | Phosphodiesterase 1A, Human | 300 | 0.28 | Binding ≤ 10μM |
PDE1A_BOVIN | P14100 | Phosphodiesterase 1A, Bovin | 300 | 0.28 | Binding ≤ 10μM |
PDE1B_HUMAN | Q01064 | Phosphodiesterase 1B, Human | 300 | 0.28 | Binding ≤ 10μM |
PDE1B_BOVIN | Q01061 | Phosphodiesterase 1B, Bovin | 300 | 0.28 | Binding ≤ 10μM |
PDE1C_HUMAN | Q14123 | Phosphodiesterase 1C, Human | 300 | 0.28 | Binding ≤ 10μM |
PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 0.6 | 0.39 | Binding ≤ 10μM |
Description | Species |
---|---|
Cam-PDE 1 activation | |
cGMP effects | |
G alpha (s) signalling events |