Ligand
Ligand Name:   5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
Ligand Type:   non-polymer
Ligand ID:   COVPDB275 PubChem:   869810
Synonym(s):  
  •   pi3k inhibitor c 96
  • 1502813-63-9
  • zinc435137
  • akos000353597
  • ab00096311-01
  • sr-01000219434
  • sr-01000219434-1
show 6 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O=C1NC(=O)C(=C\C=C\c2cccs2)C(=O)N1
Standard InChI:   InChI=1S/C11H8N2O3S/c14-9-8(10(15)13-11(16)12-9)5-1-3-7-4-2-6-17-7/h1-6H,(H2,12,13,14,15,16)/b3-1+
Molecular Formula:   C11H8N2O3S Mol. Weight:   248.02556 logP:   1.0537
HBD:   2 HBA:   4
#Rotatable Bonds:   2 TPSA:   75.27

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Dihydroorotate dehydrogenase (fumarate) Q4D3W2 (PYRD_TRYCC) Trypanosoma cruzi (strain CL Brener) 5EA9 5LM
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