Ligand |
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| Ligand Name: dibutyrylphosphatidylcholine | ||
| Canonical SMILES: CCCC(=O)OC[C@H](COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCC | ||
| Standard InChI: InChI=1S/C16H32NO8P/c1-6-8-15(18)22-12-14(25-16(19)9-7-2)13-24-26(20,21)23-11-10-17(3,4)5/h14H,6-13H2,1-5H3/p+1/t14-/m1/s1 | ||
| HET Code: HI5 | PubChem: 193376 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C16H33NO8P+ | Mol. Weight: 398.19382 | logP: 1.8814 |
| HBD: 1 | HBA: 7 | |
| #Rotatable Bonds: 14 | TPSA: 108.36 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | HIS 170 | A | 11.18 | 6.73 | Phosphate |  |
Binding Affinity |
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