Ligand |
||
 | ||
| Ligand Name: (2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+) | ||
| Canonical SMILES: CCO[P@@](=O)(CCCc1cc(CN(C)C)c([Pt]Cl)c(CN(C)C)c1)Oc1ccc(cc1)[N+]([O-])=O | ||
| Standard InChI: InChI=1/C23H33N3O5P.Cl.Pt/c1-6-30-32(29,31-23-11-9-22(10-12-23)26(27)28)13-7-8-19-14-20(17-24(2)3)16-21(15-19)18-25(4)5;;/h9-12,14-15H,6-8,13,17-18H2,1-5H3;;/q2*-1;+2 | ||
| HET Code: NXC | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C23H33N3O5PClPt | Mol. Weight: 693.04 | logP: 4.43 |
| HBD: 0 | HBA: 3 | |
| #Rotatable Bonds: 14 | TPSA: 78.67 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | SER 120 | A | 12.61 | - | Phosphonate |  |
Binding Affinity |
||
- |