Reaction Details Report a problem with these data
Target
Envelope phospholipase F13
Ligand
BDBM50577055
Substrate
n/a
Meas. Tech.
ChEMBL_2128845 (CHEMBL4838274)
IC50
3520±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:
BDBM50577055
Synonyms:
CHEMBL4852852
Type:
Small organic molecule
Emp. Form.:
C18H20ClF3N2O
Mol. Mass.:
372.812
SMILES:
FC(F)(F)c1ccc(cc1)C(=O)NNC1C2CC3CC1CC(Cl)(C3)C2 |TLB:24:21:18:16.15.14,13:14:23.21.20:18,22:21:18:16.15.14,14:15:23:20.19.18,THB:24:15:23.21.20:18,14:19:23:16.24.15,(68.62,-36.56,;68.62,-35.02,;69.95,-34.25,;69.95,-35.79,;67.29,-34.25,;65.95,-35.02,;64.61,-34.25,;64.62,-32.71,;65.94,-31.94,;67.28,-32.7,;63.28,-31.94,;63.28,-30.4,;61.95,-32.71,;60.61,-31.94,;59.28,-32.71,;59.27,-34.24,;57.87,-34.58,;56.55,-34.09,;56.54,-32.61,;57.88,-32.13,;56.84,-33.36,;56.85,-34.95,;56.84,-36.49,;55.35,-35.37,;58.26,-35.51,)|
Structure:
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