Ligand
Ligand Name:   PSR3-226
Ligand Type:   non-polymer
Ligand ID:   COVPDB1324 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C[C@@]1([C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O)C(=O)OCC(N)=O
Standard InChI:   InChI=1S/C10H12N2O8S/c1-10(9(17)20-3-4(11)13)7(8(15)16)12-5(14)2-6(12)21(10,18)19/h6-7H,2-3H2,1H3,(H2,11,13)(H,15,16)/t6-,7+,10-/m1/s1
Molecular Formula:   C10H12N2O8S Mol. Weight:   320.03143 logP:   -2.7864
HBD:   2 HBA:   7
#Rotatable Bonds:   4 TPSA:   161.14

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Carbapenem-hydrolyzing beta-lactamase KPC Q9F663 (BLKPC_KLEPN) Klebsiella pneumoniae 3RXW SR3
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