Ligand
Ligand Name:   PSR-4-157
Ligand Type:   non-polymer
Ligand ID:   COVPDB126 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C[C@]1(COC(=O)CCCCC(O)=O)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Standard InChI:   InChI=1S/C14H19NO9S/c1-14(7-24-11(19)5-3-2-4-10(17)18)12(13(20)21)15-8(16)6-9(15)25(14,22)23/h9,12H,2-7H2,1H3,(H,17,18)(H,20,21)/t9-,12+,14+/m1/s1
Molecular Formula:   C14H19NO9S Mol. Weight:   377.07806 logP:   -0.6267
HBD:   2 HBA:   7
#Rotatable Bonds:   8 TPSA:   155.35

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase SHV-1 P0AD64 (BLA1_KLEPN) Klebsiella pneumoniae 4MBF 2AW Ki : 1700 nM PDBBind SHOW