Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50280116
Substrate
n/a
Meas. Tech.
ChEMBL_1721669 (CHEMBL4136669)
IC50
0.012±n/a nM
Citation
 Bungard, CJ; Williams, PD; Schulz, J; Wiscount, CM; Holloway, MK; Loughran, HM; Manikowski, JJ; Su, HP; Bennett, DJ; Chang, L; Chu, XJ; Crespo, A; Dwyer, MP; Keertikar, K; Morriello, GJ; Stamford, AW; Waddell, ST; Zhong, B; Hu, B; Ji, T; Diamond, TL; Bahnck-Teets, C; Carroll, SS; Fay, JF; Min, X; Morris, W; Ballard, JE; Miller, MD; McCauley, JA Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors. ACS Med Chem Lett 8:1292-1297 (2017) [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:
BDBM50280116
Synonyms:
CHEMBL4177355
Type:
Small organic molecule
Emp. Form.:
C29H31ClF3N5O3S
Mol. Mass.:
622.101
SMILES:
[H][C@@]12CN([C@@H](CCc3c(F)cncc3NC(=O)[C@@H](N)[C@@H](c3ccc(Cl)cc3)c3cc(F)cc(F)c3)CN1)S(=O)(=O)CCC2 |r|
Structure:
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