Ligand |
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| Ligand Name: phosphoethanolamine | ||
| Canonical SMILES: NCCOP(O)(O)=O | ||
| Standard InChI: InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6) | ||
| HET Code: OPE | PubChem: 1015 | |
| DrugBank: DB01738 | ChEMBL: CHEMBL146972 | |
| Molecular Formula: C2H8NO4P | Mol. Weight: 141.01909 | logP: -0.9456 |
| HBD: 3 | HBA: 3 | |
| #Rotatable Bonds: 3 | TPSA: 92.78 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | SER 68 | A | 67.62 | - | Phosphate |  |
Binding Affinity |
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