Ligand |
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Ligand Name: tert-butyl N-[(1R)-1-{5-[(2-chloro-6-fluorophenyl)methanesulfonyl]-1,3,4-oxadiazol-2-yl}-2-methylpropyl]carbamate | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1199 | PubChem: 51528148 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC(C)(C)OC(=O)N[C@H](C(C)C)c1nnc(o1)S(=O)(=O)Cc2c(F)cccc2Cl | ||
Standard InChI: InChI=1S/C18H23ClFN3O5S/c1-10(2)14(21-16(24)28-18(3,4)5)15-22-23-17(27-15)29(25,26)9-11-12(19)7-6-8-13(11)20/h6-8,10,14H,9H2,1-5H3,(H,21,24)/t14-/m1/s1 | ||
Molecular Formula: C18H23ClFN3O5S | Mol. Weight: 447.1031 | logP: 4.0578 |
HBD: 1 | HBA: 7 | |
#Rotatable Bonds: 6 | TPSA: 111.39 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Beta-lactamase | P00811 (AMPC_ECOLI) | Escherichia coli (strain K12) | 2PU4 | OX6 |
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