Ligand
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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