Ligand |
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Ligand Name: 2-(4-hydroxyphenyl)-N-(5-methylene-2-oxotetrahydrofuran-3-yl)acetamide | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1178 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: Oc1ccc(cc1)CC(=O)N[C@H]2CC(=C)OC2=O | ||
Standard InChI: InChI=1S/C13H13NO4/c1-8-6-11(13(17)18-8)14-12(16)7-9-2-4-10(15)5-3-9/h2-5,11,15H,1,6-7H2,(H,14,16)/t11-/m0/s1 | ||
Molecular Formula: C13H13NO4 | Mol. Weight: 247.08446 | logP: 0.8801 |
HBD: 2 | HBA: 4 | |
#Rotatable Bonds: 3 | TPSA: 75.63 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Peptidoglycan D,D-transpeptidase FtsI | G3XD46 (FTSI_PSEAE) | Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) | 6Y6U | ODZ |
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SHOW |