Reaction Details Report a problem with these data
Target
Envelope phospholipase F13
Ligand
BDBM50577051
Substrate
n/a
Meas. Tech.
ChEMBL_2128845 (CHEMBL4838274)
IC50
12530±n/a nM
Citation
 Shiryaev, VA; Skomorohov, MY; Leonova, MV; Bormotov, NI; Serova, OA; Shishkina, LN; Agafonov, AP; Maksyutov, RA; Klimochkin, 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:
BDBM50577051
Synonyms:
CHEMBL4865823
Type:
Small organic molecule
Emp. Form.:
C21H25F3N2O2
Mol. Mass.:
394.4306
SMILES:
CCC12CC3CC(C1)CC(C3)(C2)C(=O)NNC(=O)c1ccc(cc1)C(F)(F)F |TLB:10:9:5.4.3:7,THB:10:4:7:8.9.11,12:9:5:3.2.7,12:9:5.4.3:7,11:9:5:3.2.7,11:2:5:8.10.9,1:2:5:8.10.9|
Structure:
Search PDB for entries with ligand similarity: