Ligand |
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Ligand Name: (2R)-2,3-bis(hexyloxy)propyl 4-nitrophenyl pentylphosphonate | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB612 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CCCCCCOC[C@@H](OCCCCCC)CO[P@@](=O)(CCCCC)Oc1ccc([N+]([O-])=O)cc1 | ||
Standard InChI: InChI=1S/C26H46NO7P/c1-4-7-10-12-19-31-22-26(32-20-13-11-8-5-2)23-33-35(30,21-14-9-6-3)34-25-17-15-24(16-18-25)27(28)29/h15-18,26H,4-14,19-23H2,1-3H3/t26-,35+/m1/s1 | ||
Molecular Formula: C26H46NO7P | Mol. Weight: 515.3012 | logP: 7.9359 |
HBD: 0 | HBA: 7 | |
#Rotatable Bonds: 23 | TPSA: 97.13 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Esterase B | B2CZF4 (B2CZF4_LACRH) | Lactobacillus rhamnosus HN001 | 4OUK | C63 |
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SHOW |