Ligand |
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| Ligand Name: C11P | ||
| Canonical SMILES: CCCCCCCCCCC[P@@](=O)(OC)Oc1ccc([N+]([O-])=O)cc1 | ||
| Standard InChI: InChI=1S/C18H30NO5P/c1-3-4-5-6-7-8-9-10-11-16-25(22,23-2)24-18-14-12-17(13-15-18)19(20)21/h12-15H,3-11,16H2,1-2H3/t25-/m1/s1 | ||
| HET Code: MUP | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C18H30NO5P | Mol. Weight: 371.18616 | logP: 6.3439 |
| HBD: 0 | HBA: 5 | |
| #Rotatable Bonds: 14 | TPSA: 78.67 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | SER 152 | B | 11.17 | - | Phosphonate |  |
Binding Affinity |
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- |