Target Information

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Target General Information
Drugs and Modes of Action
Drug Binding Sites of Target
Different Human System Profiles of Target
Chemical Structure based Activity Landscape of Target
Target Poor or Non Binders
Target Regulators
Target Affiliated Biological Pathways
Target-Related Models and Studies
References
Drug Binding Sites of Target  Top
Ligand Name: L-serine-O-phosphate Ligand Info
Structure Description The molecular tweezer CLR01 stabilizes a disordered protein-protein interface PDB:5M37
Method X-ray diffraction Resolution 2.35 Å Mutation No [5]
PDB Sequence
SRSGLYRSPM
217
PENLNRP
Residue
Distance (Å)
ARG213
3.027
SER214
2.799
PRO215
1.332
Residue
Distance (Å)
MET217
1.337
PRO218
3.334
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Ligand Name: [(1S,5R,9R,16S,20S,24R,28R,35S)-22-phosphonooxy-3-tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2,4(21),6(19),7,10,12,14,17,22,25(38),26,29,31,33,36-pentadecaenyl] dihydrogen phosphate Ligand Info
Structure Description The molecular tweezer CLR01 stabilizes a disordered protein-protein interface PDB:5M37
Method X-ray diffraction Resolution 2.35 Å Mutation No [5]
PDB Sequence
SRSGLYRSPM
217
PENLNRP
Residue
Distance (Å)
ARG208
2.698
SER209
3.690
Residue
Distance (Å)
GLY210
4.800
TYR212
3.567
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Different Human System Profiles of Target  Top
Human Similarity Proteins of target is determined by comparing the sequence similarity of all human proteins with the target based on BLAST. The similarity proteins for a target are defined as the proteins with E-value < 0.005 and outside the protein families of the target.
A target that has fewer human similarity proteins outside its family is commonly regarded to possess a greater capacity to avoid undesired interactions and thus increase the possibility of finding successful drugs (Brief Bioinform, 21: 649-662, 2020).
Human Pathway Affiliation of target is determined by the life-essential pathways provided on KEGG database. The target-affiliated pathways were defined based on the following two criteria (a) the pathways of the studied target should be life-essential for both healthy individuals and patients, and (b) the studied target should occupy an upstream position in the pathways and therefore had the ability to regulate biological function.
Targets involved in a fewer pathways have greater likelihood to be successfully developed, while those associated with more human pathways increase the chance of undesirable interferences with other human processes (Pharmacol Rev, 58: 259-279, 2006).
Biological Network Descriptors of target is determined based on a human protein-protein interactions (PPI) network consisting of 9,309 proteins and 52,713 PPIs, which were with a high confidence score of ≥ 0.95 collected from STRING database.
The network properties of targets based on protein-protein interactions (PPIs) have been widely adopted for the assessment of target’s druggability. Proteins with high node degree tend to have a high impact on network function through multiple interactions, while proteins with high betweenness centrality are regarded to be central for communication in interaction networks and regulate the flow of signaling information (Front Pharmacol, 9, 1245, 2018; Curr Opin Struct Biol. 44:134-142, 2017).
Human Similarity Proteins
Human Pathway Affiliation
Biological Network Descriptors
There is no similarity protein (E value < 0.005) for this target
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KEGG Pathway Pathway ID Affiliated Target Pathway Map
Cell cycle hsa04110 Affiliated Target
  Class: Cellular Processes => Cell growth and death Pathway Hierarchy
Oocyte meiosis hsa04114 Affiliated Target
  Class: Cellular Processes => Cell growth and death Pathway Hierarchy
Progesterone-mediated oocyte maturation hsa04914 Affiliated Target
  Class: Organismal Systems => Endocrine system Pathway Hierarchy
Degree 18 Degree centrality 1.93E-03 Betweenness centrality 1.38E-04
Closeness centrality 2.40E-01 Radiality 1.42E+01 Clustering coefficient 3.79E-01
Neighborhood connectivity 6.00E+01 Topological coefficient 1.18E-01 Eccentricity 12
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