UCSF

ZINC08195636

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2006 12 No

Popular Name: norcantharidin norcantharidin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 29745-04-8 , [29745-04-8]

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) 0.88 3.8 -11.19 0 4 0 53 168.148 0 ↓

Vendor Notes

Note Type Comments Provided By
Therapy antineoplastic, protein phosphatase inhibitor SMDC MicroSource
PUBCHEM_PATENT_ID EP0156245A1; EP0183238A2; US4522949; US4536513; US4588743; US4661506 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PP1G-1-E Serine/threonine Protein Phosphatase PP1-gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 1980 0.67 Binding ≤ 10μM
Q8AWE3-1-E Serine-threonine Protein Phosphatase 2A Regulatory Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 370 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 370 0.75 Binding ≤ 1μM
Q8AWE3_CHICK Q8AWE3 Serine-threonine Protein Phosphatase 2A Regulatory Subunit, Chick 370 0.75 Binding ≤ 10μM
PP1G_HUMAN P36873 Serine/threonine Protein Phosphatase PP1-gamma Catalytic Subunit, Human 1980 0.67 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
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% )