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Target
Envelope phospholipase F13
Ligand
BDBM50577054
Substrate
n/a
Meas. Tech.
ChEMBL_2128845 (CHEMBL4838274)
IC50
2800±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:
VACV
Description:
ChEMBL_118391
Residue:
372
Sequence:
MWPFASVPAGAKCRLVETLPENMDFRSDHLTTFECFNEIITLAKKYIYIASFCCNPLSTTRGALIFDKLKEASEKGIKIIVLLDERGKRNLGELQSHCPDINFITVNIDKKNNVGLLLGCFWVSDDERCYVGNASFTGGSIHTIKTLGVYSDYPPLATDLRRRFDTFKAFNSAKNSWLNLCSAACCLPVSTAYHIKNPIGGVFFTDSPEHLLGYSRDLDTDVVIDKLKSAKTSIDIEHLAIVPTTRVDGNSYYWPDIYNSIIEAAINRGVKIRLLVGNWDKNDVYSMATARSLDALCVQNDLSVKVFTIQNNTKLLIVDDEYVHITSANFDGTHYQNHGFVSFNSIDKQLVSEAKKIFERDWVSSHSKSLKI
  
Inhibitor
Name:
BDBM50577054
Synonyms:
CHEMBL4857491
Type:
Small organic molecule
Emp. Form.:
C18H21F3N2O
Mol. Mass.:
338.3673
SMILES:
FC(F)(F)c1ccc(cc1)C(=O)NNC1C2CC3CC(C2)CC1C3 |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:13:14:18.19.21:23,14:15:18:21.22.23,14:22:18:16.20.15,(50.85,-35.86,;50.85,-34.32,;52.18,-33.55,;52.17,-35.09,;49.51,-33.55,;48.18,-34.32,;46.84,-33.55,;46.84,-32.01,;48.17,-31.24,;49.51,-32,;45.51,-31.24,;45.51,-29.7,;44.18,-32.01,;42.84,-31.24,;41.51,-32.01,;41.5,-33.54,;40.1,-33.88,;38.77,-33.39,;37.58,-34.67,;39.08,-34.25,;40.48,-34.81,;39.07,-32.66,;40.11,-31.43,;38.77,-31.91,)|
Structure:
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