Ligand |
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Ligand Name: BAL30072 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB155 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC1(C)[C@H](NC(=O)C(=N/OCc2cc(=O)c(O)cn2[O-])\c2csc(N)n2)C(=O)N1OS(O)(=O)=O | ||
Standard InChI: InChI=1S/C16H17N6O10S2/c1-16(2)12(14(26)22(16)32-34(28,29)30)19-13(25)11(8-6-33-15(17)18-8)20-31-5-7-3-9(23)10(24)4-21(7)27/h3-4,6,12,24H,5H2,1-2H3,(H2,17,18)(H,19,25)(H,28,29,30)/q-1/b20-11-/t12-/m1/s1 | ||
Molecular Formula: C16H17N6O10S2- | Mol. Weight: 517.0453 | logP: -1.3006 |
HBD: 4 | HBA: 14 | |
#Rotatable Bonds: 8 | TPSA: 238.8 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Cell division protein FtsI [Peptidoglycan synthetase] | None (None) | Pseudomonas aeruginosa | 4OOM | 2U3 |
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