Ligand |
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Ligand Name: FPI-1602 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB286 | PubChem: 71724591 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: OS(=O)(=O)ON1[C@@H]2CN([C@H](CC2)C(=O)NNC(=O)C2CNC2)C1=O | ||
Standard InChI: InChI=1S/C11H17N5O7S/c17-9(6-3-12-4-6)13-14-10(18)8-2-1-7-5-15(8)11(19)16(7)23-24(20,21)22/h6-8,12H,1-5H2,(H,13,17)(H,14,18)(H,20,21,22)/t7-,8+/m0/s1 | ||
Molecular Formula: C11H17N5O7S | Mol. Weight: 363.08487 | logP: -2.6438 |
HBD: 4 | HBA: 7 | |
#Rotatable Bonds: 4 | TPSA: 157.38 |
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 | 5FAT | 602 | Kd : 110 nM | PDBBind | SHOW |