Ligand
Ligand Name:   4-methylumbelliferyl hexylphosphonate
Ligand Type:   non-polymer
Ligand ID:   COVPDB1094 PubChem:   99346407
Synonym(s):  
  •   zinc116453305
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCCCCC[P@@](=O)(OC)Oc(c1)ccc(c12)c(C)cc(o2)=O
Standard InChI:   InChI=1S/C17H23O5P/c1-4-5-6-7-10-23(19,20-3)22-14-8-9-15-13(2)11-17(18)21-16(15)12-14/h8-9,11-12H,4-7,10H2,1-3H3/t23-/m1/s1
Molecular Formula:   C17H23O5P Mol. Weight:   338.1283 logP:   4.90002
HBD:   0 HBA:   5
#Rotatable Bonds:   8 TPSA:   65.74

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Lipase B P41365 (LIPB_PSEA2) Pseudozyma antarctica (Yeast) (Candida antarctica) 3ICW MHH
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