iPPI-DB

Inhibitors of Protein-Protein Interaction Database

LOGIN

Home
About
Query compounds
Contribute
Protein Interaction Explorer
Tutorials
FAQ

You are here

Query compounds

Query compounds

× Close

Search

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

Open filters

3 compounds found

Compounds per page

15 30 90

Sort by

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: P0DP29

2021

Common name : 1-EBIO

PPI Family : CaM / CaMBD2

Molecular weight: 162.08 g/mol

2022

Common name : Phenylurea

PPI Family : CaM / CaMBD2

Molecular weight: 136.06 g/mol

2023

Common name : NS309

PPI Family : CaM / CaMBD2

Molecular weight: 229.96 g/mol

Download query as CSV

1 of 1
Go to page

PPI Family

CaM / CaMBD2

PPI

PPI #3304 on CALM1,KCNN2

Disease

schizophrenia (disease) (MONDO:0005090)

Molecular function

protein homodimerization activity

protein kinase binding

ion channel binding

protein N-terminus binding

protein domain specific binding

disordered domain specific binding

nitric-oxide synthase regulator activity

alpha-actinin binding

calcium-activated potassium channel activity

calmodulin binding

ion channel activity

small conductance calcium-activated potassium channel activity

adenylate cyclase activator activity

adenylate cyclase binding

calcium channel inhibitor activity

calcium channel regulator activity

calcium ion binding

calcium-dependent protein binding

enzyme regulator activity

N-terminal myristoylation domain binding

nitric-oxide synthase binding

phosphatidylinositol 3-kinase binding

protein phosphatase activator activity

titin binding

type 3 metabotropic glutamate receptor binding

Organism

Rattus norvegicus

Bound complex

KCNN2 P70604-CaMBD

CALM1 P0DP29-EF-hand_7

Partner complex

PFAM

PF02888 (CaMBD-Calmodulin binding domain)

PF13499 (EF-hand_7-EF-hand domain pair)

Biochemical tests

Cellular tests

Ca2+ activated potassium channel activity

Molecular Weight

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

Current selection range: 100.0 to 250.0

AlogP

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

Current selection range: 0.0 to 3.0

H donors

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

Current selection range: 1.0 to 4.0

H acceptors

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

Current selection range: 3.0 to 5.0

TPSA

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

Current selection range: 0.0 to 100.0

Nb rotatable bonds

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

Current selection range: 0.0 to 2.0

Nb aromatic SSSR

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

Current selection range: 1.0 to 3.0

Nb chiral centers

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

Current selection range: 0.0 to 1.0

FSP3

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

Current selection range: 0.0 to 0.30000000000000004

Publications

Select a cutoff value for the number of publications mentioning the compounds to be selected

Current selection range: 1.0 to 2.0

Query structure

Paste the SMILES of your molecule here:

or

Sketch or upload (in .mol format and in 2D only) the query structure here:

Select the fingerprints to use:

FP2

FP4

ECFP4

Best Activiry

Select a cutoff value for the best activity of the compounds to be selected

Current selection range: 2.0 to 7.0

LE

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

Current selection range: 0.30000000000000004 to 0.7000000000000001

LLE

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

Current selection range: 1.0 to 5.0

25-28 Rue du Dr Roux, 75015 Paris

01 45 68 80 00

Query compounds
About
Protein Interaction Explorer
Tutorials
Contribute

FAQ
Credits
How to cite?
Latest News

Loading...