Covpdb









Ligand
Ligand Name:   METHYL ARACHIDONYL FLUOROPHOSPHONATE
Ligand Type:   non-polymer
Ligand ID:   COVPDB1088 PubChem:   92536013
Synonym(s):  
  •   mafp
  • methyl arachidonylfluorophosphonate
  • zinc17654246
  • db02465
  • methyl (s)-(5z,8z,11z,14z)-icosa-5,8,11,14-tetraen-1-ylphosphonofluoridate
show 4 synonym(s)
DrugBank:   DB02465 ChEMBL:   -
Canonical SMILES:   CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC[P@@](=O)(F)OC
Standard InChI:   InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-/t25-/m0/s1
Molecular Formula:   C21H36FO2P Mol. Weight:   370.24368 logP:   7.9411
HBD:   0 HBA:   2
#Rotatable Bonds:   16 TPSA:   26.3

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Patatin-17 Q8LPW4 (PAT17_SOLCD) Solanum cardiophyllum (Heartleaf nightshade) (Solanum cardiophyllum Lindl.) 4PKB MAY IC50 : 116 nM PDBBind SHOW