Ligand |
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Ligand Name: FPI-1523 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB283 | PubChem: 71682990 | |
Synonym(s):
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DrugBank: - | ChEMBL: CHEMBL4117879 | |
Canonical SMILES: CC(=O)NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O | ||
Standard InChI: InChI=1S/C9H14N4O7S/c1-5(14)10-11-8(15)7-3-2-6-4-12(7)9(16)13(6)20-21(17,18)19/h6-7H,2-4H2,1H3,(H,10,14)(H,11,15)(H,17,18,19)/t6-,7+/m1/s1 | ||
Molecular Formula: C9H14N4O7S | Mol. Weight: 322.05832 | logP: -1.8433 |
HBD: 3 | HBA: 6 | |
#Rotatable Bonds: 3 | TPSA: 145.35 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Beta-lactamase | Q6XEC0 (Q6XEC0_KLEPN) | Klebsiella pneumoniae | 5FAS | 5VR | Kd : 34 nM | PDBBind | SHOW |
Beta-lactamase | Q9EXV5 (Q9EXV5_ECOLX) | Escherichia coli | 5FA7 | 5VR | Kd : 4 nM | PDBBind | SHOW |