Ligand
Ligand Name:   N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB997 PubChem:   155523627
Synonym(s):  
  •   chembl4454963
  • bdbm50526152
show 1 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4454963
Canonical SMILES:   Cc1cc(on1)CN(C(=O)C=C)c2nc(cs2)-c3ccccc3
Standard InChI:   InChI=1S/C17H15N3O2S/c1-3-16(21)20(10-14-9-12(2)19-22-14)17-18-15(11-23-17)13-7-5-4-6-8-13/h3-9,11H,1,10H2,2H3
Molecular Formula:   C17H15N3O2S Mol. Weight:   325.0885 logP:   3.82572
HBD:   0 HBA:   5
#Rotatable Bonds:   5 TPSA:   59.23

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Glutathione S-transferase omega-1 P78417 (GSTO1_HUMAN) Homo sapiens (Human) 6MHD JRD
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