Ligand |
||
Ligand Name: FPI-1465 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB284 | PubChem: 71714408 | |
Synonym(s):
|
||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NO[C@H]2CCNC2)C1=O | ||
Standard InChI: InChI=1S/C11H18N4O7S/c16-10(13-21-8-3-4-12-5-8)9-2-1-7-6-14(9)11(17)15(7)22-23(18,19)20/h7-9,12H,1-6H2,(H,13,16)(H,18,19,20)/t7-,8+,9+/m1/s1 | ||
Molecular Formula: C11H18N4O7S | Mol. Weight: 350.08963 | logP: -1.6009 |
HBD: 3 | HBA: 7 | |
#Rotatable Bonds: 5 | TPSA: 137.51 |
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 | 5FAQ | 5VW | Kd : 5300 nM | PDBBind | SHOW |