Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50478715
Substrate
n/a
Meas. Tech.
ChEMBL_555999 (CHEMBL965471)
IC50
0.110000±n/a nM
Citation
 Nakatani, S; Hidaka, K; Ami, E; Nakahara, K; Sato, A; Nguyen, JT; Hamada, Y; Hori, Y; Ohnishi, N; Nagai, A; Kimura, T; Hayashi, Y; Kiso, Y Combination of non-natural D-amino acid derivatives and allophenylnorstatine-dimethylthioproline scaffold in HIV protease inhibitors have high efficacy in mutant HIV. J Med Chem 51:2992-3004 (2008) [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:
BDBM50478715
Synonyms:
CHEMBL452873 | KNI-1910
Type:
Small organic molecule
Emp. Form.:
C34H41ClN4O8S3
Mol. Mass.:
765.359
SMILES:
Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(Cl)cc1)NS(C)(=O)=O |r|
Structure:
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