Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50480929
Substrate
n/a
Meas. Tech.
ChEMBL_593880 (CHEMBL1037773)
Ki
0.830000±n/a nM
Citation
 Hidaka, K; Kimura, T; Abdel-Rahman, HM; Nguyen, JT; McDaniel, KF; Kohlbrenner, WE; Molla, A; Adachi, M; Tamada, T; Kuroki, R; Katsuki, N; Tanaka, Y; Matsumoto, H; Wang, J; Hayashi, Y; Kempf, DJ; Kiso, Y Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket. J Med Chem 52:7604-17 (2009) [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:
BDBM50480929
Synonyms:
CHEMBL573975 | KNI-1689
Type:
Small organic molecule
Emp. Form.:
C30H40N4O5S
Mol. Mass.:
568.727
SMILES:
CC(=C)CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cc(N)cc1C |r|
Structure:
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