General
Preferred name
ML086
Synonyms
P&D ID
PD016043
Tags
available
probe
Probe info
Probe selectivity
protein-selective
Probe type
experimental probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
The main aim of this project was to screen large comprehensive chemical libraries to identify lead compounds for PHOSPHO1-specific inhibitors that will enable the elucidation of the functional involvement of this enzyme in skeletal mineralization and related biological phenomena.
(MLP Probes)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
MLP Probes
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
298.08
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
3
cLogP
2.75
TPSA
42.31
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.73
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Antitarget
TNAP
Target
PHOSPHO-1
Source data