Ligand |
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| Ligand Name: GSK3448330A | ||
| Canonical SMILES: NC(=N)c1ccc(cc1)[C@@H]1Cc2ccccc2B(O)O1 | ||
| Standard InChI: InChI=1S/C15H15BN2O2/c17-15(18)11-7-5-10(6-8-11)14-9-12-3-1-2-4-13(12)16(19)20-14/h1-8,14,19H,9H2,(H3,17,18)/t14-/m0/s1 | ||
| HET Code: LH8 | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C15H15BN2O2 | Mol. Weight: 266.12265 | logP: 0.97217 |
| HBD: 3 | HBA: 3 | |
| #Rotatable Bonds: 2 | TPSA: 79.33 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Borylation | SER 195 | A | 15.01 | - | Boronic Acid |  |
Binding Affinity |
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