UCSF

ZINC36175852

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 13 No

Popular Name: Cantharidin Cantharidin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 56-25-7 , [56-25-7]

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) 1.12 4.33 -10.82 0 4 0 53 182.175 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PP1A-1-E Serine/threonine Protein Phosphatase PP1-alpha Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 700 0.66 Binding ≤ 10μM
PP1G-1-E Serine/threonine Protein Phosphatase PP1-gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 700 0.66 Binding ≤ 10μM
Q8AWE3-1-E Serine-threonine Protein Phosphatase 2A Regulatory Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.75 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q8AWE3_CHICK Q8AWE3 Serine-threonine Protein Phosphatase 2A Regulatory Subunit, Chick 120 0.75 Binding ≤ 1μM
PP1A_HUMAN P62136 Serine/threonine Protein Phosphatase PP1-alpha Catalytic Subunit, Human 700 0.66 Binding ≤ 1μM
PP1G_HUMAN P36873 Serine/threonine Protein Phosphatase PP1-gamma Catalytic Subunit, Human 700 0.66 Binding ≤ 1μM
Q8AWE3_CHICK Q8AWE3 Serine-threonine Protein Phosphatase 2A Regulatory Subunit, Chick 120 0.75 Binding ≤ 10μM
PP1A_HUMAN P62136 Serine/threonine Protein Phosphatase PP1-alpha Catalytic Subunit, Human 700 0.66 Binding ≤ 10μM
PP1G_HUMAN P36873 Serine/threonine Protein Phosphatase PP1-gamma Catalytic Subunit, Human 700 0.66 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
DARPP-32 events
Downregulation of TGF-beta receptor signaling
Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis
Mitotic Prometaphase
Resolution of Sister Chromatid Cohesion
Separation of Sister Chromatids

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