Ligand
Ligand Name:   Moxalactam
Ligand Type:   non-polymer
Ligand ID:   COVPDB191 PubChem:   157009
Synonym(s):  
  •   schembl194013
  • zinc3977942
  • unii-vuf6c936z3 component jwcsiuvgfcsjck-uoxrkkocsa-n
show 2 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CO[C@]1(NC(=O)[C@@H](C(O)=O)c2ccc(O)cc2)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O
Standard InChI:   InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12-,18+,20-/m0/s1
Molecular Formula:   C20H20N6O9S Mol. Weight:   520.10126 logP:   -1.1277
HBD:   4 HBA:   12
#Rotatable Bonds:   9 TPSA:   206.3

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase Q3SAW3 (Q3SAW3_PSEAI) Pseudomonas aeruginosa 5EUA 3P7
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Beta-lactamase OXA-10 P14489 (BLO10_PSEAI) Pseudomonas aeruginosa 1K6R MX1
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Beta-lactamase P00811 (AMPC_ECOLI) Escherichia coli (strain K12) 1I5Q MOX
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Beta-lactamase P00811 (AMPC_ECOLI) Escherichia coli (strain K12) 1FCO MOX
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