Ligand
Ligand Name:   (RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE
Ligand Type:   non-polymer
Ligand ID:   COVPDB955 PubChem:   46937114
Synonym(s):  
  •   db07990
  • q27097220
  • (1r)-1-(phenoxymethyl)propyl (r)-methylphosphonochloridoate
show 2 synonym(s)
DrugBank:   DB07990 ChEMBL:   CHEMBL1233619
Canonical SMILES:   O=[P@](Cl)(C)O[C@H](CC)COc1ccccc1
Standard InChI:   InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16-/m1/s1
Molecular Formula:   C11H16ClO3P Mol. Weight:   262.05255 logP:   3.9223
HBD:   0 HBA:   3
#Rotatable Bonds:   6 TPSA:   35.53

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Triacylglycerol lipase P22088 (LIP_BURCE) Burkholderia cepacia (Pseudomonas cepacia) 1HQD INK
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