Target
Envelope phospholipase F13
Ligand
BDBM50577044
Substrate
n/a
Meas. Tech.
ChEMBL_2128845 (CHEMBL4838274)
IC50
4850±n/a nM
Citation
 Shiryaev, VASkomorohov, MYLeonova, MVBormotov, NISerova, OAShishkina, LNAgafonov, APMaksyutov, RAKlimochkin, YN Adamantane derivatives as potential inhibitors of p37 major envelope protein and poxvirus reproduction. Design, synthesis and antiviral activity. Eur J Med Chem 221:0 (2021) [PubMed]  Article 
Target
Name:
Envelope phospholipase F13
Synonyms:
3.1.1.- | 37 kDa protein | Envelope phospholipase F13 | OPG057 | PG057_VACCW | Palmitoylated EV membrane protein | p37K
Type:
PROTEIN
Mol. Mass.:
41798.24
Organism:
Vaccinia virus (strain Western Reserve) (VACV) (Vaccinia virus (strainWR))
Description:
ChEMBL_118391
Residue:
372
Sequence:
MWPFASVPAGAKCRLVETLPENMDFRSDHLTTFECFNEIITLAKKYIYIASFCCNPLSTTRGALIFDKLKEASEKGIKIIVLLDERGKRNLGELQSHCPDINFITVNIDKKNNVGLLLGCFWVSDDERCYVGNASFTGGSIHTIKTLGVYSDYPPLATDLRRRFDTFKAFNSAKNSWLNLCSAACCLPVSTAYHIKNPIGGVFFTDSPEHLLGYSRDLDTDVVIDKLKSAKTSIDIEHLAIVPTTRVDGNSYYWPDIYNSIIEAAINRGVKIRLLVGNWDKNDVYSMATARSLDALCVQNDLSVKVFTIQNNTKLLIVDDEYVHITSANFDGTHYQNHGFVSFNSIDKQLVSEAKKIFERDWVSSHSKSLKI
  
Inhibitor
Name:
BDBM50577044
Synonyms:
CHEMBL4877767
Type:
Small organic molecule
Emp. Form.:
C19H22F3NO
Mol. Mass.:
337.3793
SMILES:
CN(C(=O)c1ccc(cc1)C(F)(F)F)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,1:14:17:21.20.19,22:14:17:21.20.19,22:20:17:23.15.14|
Structure:
Search PDB for entries with ligand similarity: