diff --git a/ippisite/ippidb/models.py b/ippisite/ippidb/models.py
index 72b96de6bb2620d53c0095533cd657415d47bc3d..eecaaf86f9058a92c235e1109ad7e56351947ce4 100644
--- a/ippisite/ippidb/models.py
+++ b/ippisite/ippidb/models.py
@@ -328,6 +328,19 @@ class Compound(models.Model):
"""
return RefCompoundBiblio.objects.filter(compound=self)
+ @property
+ def pfam_ids(self):
+ """
+ return all PFAM ids for the domain of the proteins of the bound
+ complexes in the PPIs this compound has an action on
+ """
+ pfam_ids = set()
+ for ca in self.compoundaction_set.all():
+ ca.get_complexes()
+ for bound_complex in ca.ppi.get_ppi_bound_complexes():
+ pfam_ids.add(bound_complex.complex.domain.pfam_id)
+ return pfam_ids
+
class MDDRActivityClass(models.Model):
name = models.CharField('Activity Class', max_length=100, unique=True)
diff --git a/ippisite/ippidb/static/images/Other/ChemSpider_Logo.png b/ippisite/ippidb/static/images/Other/ChemSpider_Logo.png
new file mode 100644
index 0000000000000000000000000000000000000000..272b8ef32e30e69e5e7c305d2ed675fbba211c0c
Binary files /dev/null and b/ippisite/ippidb/static/images/Other/ChemSpider_Logo.png differ
diff --git a/ippisite/ippidb/static/images/Other/Chembl_logo.png b/ippisite/ippidb/static/images/Other/Chembl_logo.png
new file mode 100644
index 0000000000000000000000000000000000000000..d3e8c7fae16349c26a12cbd16251ad9ac38cd55f
Binary files /dev/null and b/ippisite/ippidb/static/images/Other/Chembl_logo.png differ
diff --git a/ippisite/ippidb/static/images/Other/Pubchemlogo.png b/ippisite/ippidb/static/images/Other/Pubchemlogo.png
new file mode 100644
index 0000000000000000000000000000000000000000..f6d91630560e29ee2b8fe208ea5888b44d1adeeb
Binary files /dev/null and b/ippisite/ippidb/static/images/Other/Pubchemlogo.png differ
diff --git a/ippisite/ippidb/templates/compound_db_links.html b/ippisite/ippidb/templates/compound_db_links.html
index 0a59ecb0487e718ee6dfa2f63d4ab5c5362eb2fe..366e6351b0852d91d5e57d5296da81ef397a3992 100644
--- a/ippisite/ippidb/templates/compound_db_links.html
+++ b/ippisite/ippidb/templates/compound_db_links.html
@@ -1,14 +1,13 @@
{%if compound.pubchem_id or compound.chembl_id or compound.chemspider_id %}
- <p>in other databases</p>
- <ul class="list-group">
+ <div class="row">
{% if compound.pubchem_id %}
- <li class="list-group-item">PubChem: <a href="https://pubchem.ncbi.nlm.nih.gov/compound/{{ compound.pubchem_id }}" target="_blank">{{ compound.pubchem_id }}</a></li>
+ <span class="col-sm-4"><a href="https://pubchem.ncbi.nlm.nih.gov/compound/{{ compound.pubchem_id }}" target="_blank"><img src="/static/images/Other/Pubchemlogo.png" style="height: 1.5em;" title="PubChem ID: {{ compound.pubchem_id }}" /></a></span>
{% endif %}
{% if compound.chembl_id %}
- <li class="list-group-item">ChEMBL: <a href="https://www.ebi.ac.uk/chembldb/compound/inspect/{{ compound.chembl_id}}" target="_blank">{{ compound.chembl_id}}</a></li>
+ <span class="col-sm-4"><a href="https://www.ebi.ac.uk/chembldb/compound/inspect/{{ compound.chembl_id }}" target="_blank"><img src="/static/images/Other/Chembl_logo.png" style="height: 1.5em;" title="ChEMBL ID: {{ compound.pubchem_id }}" /></a></span>
{% endif %}
{% if compound.chemspider_id %}
- <li class="list-group-item">ChemSpider: <a href="http://www.chemspider.com/Chemical-Structure.{{ compound.chemspider_id}}.html" target="_blank">{{ compound.chemspider_id}}</a></li>
+ <span class="col-sm-4"><a href="http://www.chemspider.com/Chemical-Structure.{{ compound.chemspider_id}}.html" target="_blank"><img src="/static/images/Other/ChemSpider_Logo.png" style="height: 1.5em;" title="ChemSpider ID: {{ compound.chemspider_id }}" /></a></span>
{% endif %}
- </ul>
+ </div>
{% endif %}
diff --git a/ippisite/ippidb/templates/compound_grid_item.html b/ippisite/ippidb/templates/compound_grid_item.html
index 81a47c23109856f56c735c8b091bef3013402329..b4e225c006ea4a078966fa2be9aebe5e3a239d91 100644
--- a/ippisite/ippidb/templates/compound_grid_item.html
+++ b/ippisite/ippidb/templates/compound_grid_item.html
@@ -1,15 +1,9 @@
<div class="card m-2 border border-info" style="width: 300px">
<a href="/compound/{{ compound.id }}">{% include "pubchem_img.html" %}</a>
<div class="card-body" style="overflow:hidden; word-wrap:break-word;">
- {% if compound.common_name %}
- <p class="card-text">Common name: {{ compound.common_name }}</p>
- {% endif %}
- {% if compound.canonical_smile %}
- <p class="card-text">Canonical SMILES: {{ compound.canonical_smile }}</p>
- {% endif %}
- {% if compound.iupac_name %}
- <p class="card-text">IUPAC name: {{ compound.iupac_name }}</p>
- {% endif %}
+ <span class="badge badge-dark"><a href="/compound/{{ compound.id }}">{{ compound.id }}</a></span>
+ <p>{% for pfam_id in compound.pfam_ids %}{{ pfam_id }}{% endfor %}</p>
+ <p>Molecular Weight: {{ compound.molecular_weight }} g/mol</p>
</div>
</div>
<!--
diff --git a/ippisite/ippidb/templates/compound_table_item.html b/ippisite/ippidb/templates/compound_table_item.html
index f089776fc0f4de43be590f7ad15e73614f710702..5fcae8ed0b2208ce8487f4522ea4a97e59c63e4a 100644
--- a/ippisite/ippidb/templates/compound_table_item.html
+++ b/ippisite/ippidb/templates/compound_table_item.html
@@ -3,10 +3,8 @@
<a href="/compound/{{ compound.id }}">{% include "pubchem_img.html" %}</a>
</div>
<div class="col-sm-9">
+ <span class="badge badge-dark"><a href="/compound/{{ compound.id }}">{{ compound.id }}</a></span>{%if compound.common_name %}<span>Common name: {{ compound.common_name }}</span>{% endif %}
<ul class="list-group">
- {% if compound.common_name %}
- <li class="list-group-item">Common name: {{ compound.common_name }}</li>
- {% endif %}
{% if compound.canonical_smile %}
<li class="list-group-item">Canonical SMILES: {{ compound.canonical_smile }}</li>
{% endif %}
@@ -14,12 +12,12 @@
<li class="list-group-item">IUPAC name: {{ compound.iupac_name }}</li>
{% endif %}
</ul>
- <p>in bibliography</p>
+ <p>External links</p>
+ {% include "compound_db_links.html" %}
<ul class="list-group">
{% for biblio_ref in compound.biblio_refs %}
<li class="list-group-item">Mentionned in {% include "biblio_citation.html" with bibliography=biblio_ref.bibliography%} as <i>{{ biblio_ref.compound_name }}</i></li>
{% endfor %}
</ul>
- {% include "compound_db_links.html" %}
</div>
</div>