Ligand |
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Ligand Name: (2R)-2,3-dibutoxypropyl 4-nitrophenyl octylphosphonate | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB138 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CCCCCCCC[P@](=O)(Oc1ccc([N+]([O-])=O)cc1)OC[C@H](OCCCC)COCCCC | ||
Standard InChI: InChI=1S/C25H44NO7P/c1-4-7-10-11-12-13-20-34(29,33-24-16-14-23(15-17-24)26(27)28)32-22-25(31-19-9-6-3)21-30-18-8-5-2/h14-17,25H,4-13,18-22H2,1-3H3/t25-,34-/m1/s1 | ||
Molecular Formula: C25H44NO7P | Mol. Weight: 501.28555 | logP: 7.5458 |
HBD: 0 | HBA: 7 | |
#Rotatable Bonds: 22 | TPSA: 97.13 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Esterase/lipase | None (None) | Lactobacillus rhamnosus | 4N5I | 2HD |
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SHOW |