UCSF

ZINC34799718

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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

Activity (Go SEA)

Clustered Target Annotations
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
ChEMBL Target Annotations
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

Reactome Annotations from Targets (via Uniprot)

Description Species
Cam-PDE 1 activation
cGMP effects
G alpha (s) signalling events

Analogs ( Draw Identity 99% 90% 80% 70% )