Ligand |
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| Ligand Name: 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | ||
| HET ID: DLP | PubChem: 5288075 | |
| DrugBank: DB04372 | ChEMBL: CHEMBL1232262 | |
| Canonical SMILES: CCCCC/C=CC/C=CCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=CC/C=CCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-] | ||
| Standard InChI: InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t42-/m1/s1 | ||
| Molecular Formula: C44H80NO8P | Mol. Weight: 782.08167 | Heavy Atoms: 54 |
| Charge: 0 | Is Chiral: True | logP: 12.3464 |
| HBD: 0 | HBA: 8 | TPSA: 121.0 |
| #Bonds: 54 | #Rotatable Bonds: 40 | Shape Complexity: 0.77272725 |
| Stereocomplexity: 0.045454547 | Ligand Type: Small Molecule | |
Binding Affinity |
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