Ligand
Ligand Name:   (2R)-2,3-dibutoxypropyl 4-nitrophenyl propylphosphonate
Ligand Type:   non-polymer
Ligand ID:   COVPDB923 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCCCOC[C@@H](OCCCC)CO[P@@](=O)(CCC)Oc1ccc([N+]([O-])=O)cc1
Standard InChI:   InChI=1S/C20H34NO7P/c1-4-7-13-25-16-20(26-14-8-5-2)17-27-29(24,15-6-3)28-19-11-9-18(10-12-19)21(22)23/h9-12,20H,4-8,13-17H2,1-3H3/t20-,29+/m1/s1
Molecular Formula:   C20H34NO7P Mol. Weight:   431.20728 logP:   5.5953
HBD:   0 HBA:   7
#Rotatable Bonds:   17 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 4PO3 HY4
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