Ligand |
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| Ligand Name: N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide | ||
| HET ID: UFS | PubChem: 90276494 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: C#CCCCC(=O)Nc1ccc(cc1)C(=O)c1ccc(cc1)NC(=O)CCCCCCC(=O)NO | ||
| Standard InChI: InChI=1S/C27H31N3O5/c1-2-3-6-9-24(31)28-22-16-12-20(13-17-22)27(34)21-14-18-23(19-15-21)29-25(32)10-7-4-5-8-11-26(33)30-35/h1,12-19,35H,3-11H2,(H,28,31)(H,29,32)(H,30,33) | ||
| Molecular Formula: C27H31N3O5 | Mol. Weight: 477.55215 | Heavy Atoms: 35 |
| Charge: 0 | Is Chiral: False | logP: 4.981 |
| HBD: 4 | HBA: 8 | TPSA: 124.6 |
| #Bonds: 36 | #Rotatable Bonds: 17 | Shape Complexity: 0.36 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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