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Target
Protease
Ligand
BDBM50478721
Substrate
n/a
Meas. Tech.
ChEMBL_555999 (CHEMBL965471)
IC50
0.180000±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:
BDBM50478721
Synonyms:
CHEMBL230484 | KNI-1931
Type:
Small organic molecule
Emp. Form.:
C37H46N4O6S2
Mol. Mass.:
706.914
SMILES:
COc1ccc(CSC[C@@H](NC(C)=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)NCc2ccccc2C)cc1 |r|
Structure:
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