Ligand |
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Ligand Name: N-(5-hydroxynaphthalen-2-yl)prop-2-enamide | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB347 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: Oc1cccc(c12)cc(cc2)NC(=O)C=C | ||
Standard InChI: InChI=1S/C13H11NO2/c1-2-13(16)14-10-6-7-11-9(8-10)4-3-5-12(11)15/h2-8,15H,1H2,(H,14,16) | ||
Molecular Formula: C13H11NO2 | Mol. Weight: 213.07898 | logP: 2.6699 |
HBD: 2 | HBA: 2 | |
#Rotatable Bonds: 2 | TPSA: 49.33 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Histidine--tRNA ligase | Q4DA54 (Q4DA54_TRYCC) | Trypanosoma cruzi (strain CL Brener) | 4YRT | 781 | IC50 : 1650000 nM | PDBBind | SHOW |