Ligand
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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