Ligand |
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Ligand Name: Lactivicin | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1046 | PubChem: 9816929 | |
Synonym(s):
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DrugBank: - | ChEMBL: CHEMBL575528 | |
Canonical SMILES: CC(=O)N[C@H]1CON(C1=O)[C@@]1(CCC(=O)O1)C(O)=O | ||
Standard InChI: InChI=1S/C10H12N2O7/c1-5(13)11-6-4-18-12(8(6)15)10(9(16)17)3-2-7(14)19-10/h6H,2-4H2,1H3,(H,11,13)(H,16,17)/t6-,10+/m0/s1 | ||
Molecular Formula: C10H12N2O7 | Mol. Weight: 272.06445 | logP: -1.6172 |
HBD: 2 | HBA: 6 | |
#Rotatable Bonds: 3 | TPSA: 122.24 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Beta-lactamase | P94458 (P94458_BACLI) | Bacillus licheniformis | 2X71 | L4C |
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