Ligand |
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| Ligand Name: S06015 | ||
| Canonical SMILES: O=P([O-])([O-])OB(O)Cn1cc(nn1)-c2ccsc2 | ||
| Standard InChI: InChI=1S/C7H9BN3O5PS/c12-8(16-17(13,14)15)5-11-3-7(9-10-11)6-1-2-18-4-6/h1-4,12H,5H2,(H2,13,14,15)/p-2 | ||
| HET Code: ERF | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C7H7BN3O5PS-2 | Mol. Weight: 286.9948 | logP: -1.1284 |
| HBD: 1 | HBA: 9 | |
| #Rotatable Bonds: 5 | TPSA: 123.36 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Borylation | SER 64 | A | 16.59 | - | Boronic Acid |  |
Binding Affinity |
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