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Inhibitors of Protein-Protein Interaction Database

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Compound

Physico-Chemical Properties

H donors H acceptors TPSA Nb rotatable bonds Molecular weight AlogP Nb aromatic SSSR Nb chiral centers Fsp3

Chemical similarity

Chemistry Rules

Lipinsky rule of 5 Veber Pfizer 3/75

Activity and Efficiencies

Best Activity LE LLE

Molecular Mechanism of Action

PDB ligand available

Inhibition role Stabilisation role

External Links

in PubChem in ChEMBL in ChemSpider in PDB Ligand in Drugbank

Target

PPI target filters

PFAM Bound complex Partner complex PPI Family Organism Disease Molecular function PPI

Test

Affinity assays

Biochemical tests Cellular tests

Cellular tests performed Inhibition tests performed Stabilisation tests performed Binding tests performed Pharmacokinetic tests performed Cytotoxicity tests performed In silico studies performed

Publications

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ID (ascending) ID (descending) Molecular weight (ascending) Molecular weight (descending) ALogP (Partition coefficient octanol-1/water) (ascending) ALogP (Partition coefficient octanol-1/water) (descending) Number of aromatic Smallest Set of System Rings (SSSR) (ascending) Number of aromatic Smallest Set of System Rings (SSSR) (descending) Number of chiral centers (ascending) Number of chiral centers (descending) Number of publications (ascending) Number of publications (descending) Ligand Efficiency (ascending) Ligand Efficiency (descending) Lipophilic Efficiency (ascending) Lipophilic Efficiency (descending) Best Activity (ascending) Best Activity (descending) Number of tests available (ascending) Number of tests available (descending) PPI families (ascending) PPI families (descending)

filters used: P03372

1994

Common name : Fusicoccin

PPI Family : 14-3-3 / PMA2

Molecular weight: 680.38 g/mol

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PPI Family

14-3-3 / ER

14-3-3 / PMA2

PPI

PPI #3297 on 1433C,Q42932

PPI #3306 on 1433S,ESR1

Disease

breast cancer (MONDO:0007254)

Molecular function

RNA polymerase II core promoter proximal region sequence-specific DNA binding

transcription factor activity, sequence-specific DNA binding

transcription factor binding

enzyme binding

protein kinase binding

zinc ion binding

cadherin binding

chromatin binding

estrogen receptor binding

identical protein binding

TFIIB-class transcription factor binding

ATP binding

RNA polymerase II transcription factor activity, sequence-specific DNA binding

transcriptional activator activity, RNA polymerase II transcription regulatory region sequence-specific binding

protein domain specific binding

phosphoprotein binding

protein kinase C inhibitor activity

ATPase binding

beta-catenin binding

estrogen receptor activity

estrogen response element binding

nitric-oxide synthase regulator activity

nuclear receptor activity

steroid binding

TBP-class protein binding

transcription coactivator binding

proton-exporting ATPase activity, phosphorylative mechanism

Organism

Homo sapiens

Nicotiana plumbaginifolia

Nicotiana tabacum

Bound complex

1433C P93343-14-3-3

Q42932 Q42932-Cation_ATPase_N

1433S P31947-14-3-3

ESR1 P03372-unknow

Partner complex

PFAM

PF00244 (14-3-3-14-3-3 protein)

PF00690 (Cation_ATPase_N-Cation transporter/ATPase, N-terminus)

Biochemical tests

Fluorescence Polarization dephospho 14-3-3

Fluorescence Polarization phospho-14-3-3

Surface Plasmon Resonance

Cellular tests

Molecular Weight

Select a cutoff value for the molecular weight of the compounds to be selected

Current selection range: 650.0 to 700.0

AlogP

Select a cutoff value for the AlogP of the compounds to be selected

Current selection range: 1.0 to 2.0

H donors

Select a cutoff value for the number of H donors in the compounds to be selected

Current selection range: 4.0 to 5.0

H acceptors

Select a cutoff value for the number of H acceptors in the compounds to be selected

Current selection range: 12.0 to 13.0

TPSA

Select a cutoff value for the TPSA of the compounds to be selected

Current selection range: 150.0 to 200.0

Nb rotatable bonds

Select a cutoff value for the number of rotatable bounds in the compounds to be selected

Current selection range: 14.0 to 15.0

Nb aromatic SSSR

Select a cutoff value for the number of aromatic SSSR in the compounds to be selected

Current selection range: 0.0 to 1.0

Nb chiral centers

Select a cutoff value for the number of chiral centers in the compounds to be selected

Current selection range: 13.0 to 14.0

FSP3

Select a cutoff value for the FSP3 of the compounds to be selected

Current selection range: 0.7000000000000001 to 0.8

Publications

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Current selection range: 2.0 to 3.0

Query structure

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Select the fingerprints to use:

FP2

FP4

ECFP4

Best Activiry

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Current selection range: 8.0 to 9.0

LE

Select a cutoff value for the LE of the compounds to be selected

Current selection range: 0.2 to 0.30000000000000004

LLE

Select a cutoff value for the LLE of the compounds to be selected

Current selection range: 6.0 to 7.0

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