Ligand |
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Ligand Name: Moxalactam | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB191 | PubChem: 157009 | |
Synonym(s):
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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 |
- |
- |
SHOW |
Beta-lactamase OXA-10 | P14489 (BLO10_PSEAI) | Pseudomonas aeruginosa | 1K6R | MX1 |
- |
- |
SHOW |
Beta-lactamase | P00811 (AMPC_ECOLI) | Escherichia coli (strain K12) | 1I5Q | MOX |
- |
- |
SHOW |
Beta-lactamase | P00811 (AMPC_ECOLI) | Escherichia coli (strain K12) | 1FCO | MOX |
- |
- |
SHOW |