Ligand |
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| Ligand Name: CMK pantoamide | ||
| Canonical SMILES: OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)CCl | ||
| Standard InChI: InChI=1S/C10H18ClNO4/c1-10(2,6-13)8(15)9(16)12-4-3-7(14)5-11/h8,13,15H,3-6H2,1-2H3,(H,12,16)/t8-/m0/s1 | ||
| HET Code: TXI | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C10H18ClNO4 | Mol. Weight: 251.09244 | logP: -0.32 |
| HBD: 3 | HBA: 4 | |
| #Rotatable Bonds: 7 | TPSA: 86.63 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Aliphatic Subsititution | THR 282 | A | 10.57 | - | Halomethyl Carbonyl |  |
Binding Affinity |
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- |