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Target
Protease
Ligand
BDBM50190623
Substrate
n/a
Meas. Tech.
ChEBML_1589555
IC50
0.800000±n/a nM
Citation
 Bungard, CJ; Williams, PD; Ballard, JE; Bennett, DJ; Beaulieu, C; Bahnck-Teets, C; Carroll, SS; Chang, RK; Dubost, DC; Fay, JF; Diamond, TL; Greshock, TJ; Hao, L; Holloway, MK; Felock, PJ; Gesell, JJ; Su, HP; Manikowski, JJ; McKay, DJ; Miller, M; Min, X; Molinaro, C; Moradei, OM; Nantermet, PG; Nadeau, C; Sanchez, RI; Satyanarayana, T; Shipe, WD; Singh, SK; Truong, VL; Vijayasaradhi, S; Wiscount, CM; Vacca, JP; Crane, SN; McCauley, JA Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group. ACS Med Chem Lett 7:702-7 (2016) [PubMed]  Article 
Target
Name:
Protease
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
10904.79
Organism:
Human immunodeficiency virus 1 (HIV-1)
Description:
Q9YQ12
Residue:
99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50190623
Synonyms:
CHEMBL3828743
Type:
Small organic molecule
Emp. Form.:
C30H30ClF6N5O4
Mol. Mass.:
674.034
SMILES:
N[C@@H]([C@@H](c1ccc(Cl)cc1)c1cc(F)cc(F)c1)C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r|
Structure:
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