Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50485124
Substrate
n/a
Meas. Tech.
ChEMBL_818090 (CHEMBL2033732)
Ki
5.3±n/a nM
Citation
 Wu, X; Ohrngren, P; Joshi, AA; Trejos, A; Persson, M; Arvela, RK; Wallberg, H; Vrang, L; Rosenquist, A; Samuelsson, BB; Unge, J; Larhed, M Synthesis, X-ray analysis, and biological evaluation of a new class of stereopure lactam-based HIV-1 protease inhibitors. J Med Chem 55:2724-36 (2012) [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:
BDBM50485124
Synonyms:
CHEMBL2031100
Type:
Small organic molecule
Emp. Form.:
C43H51N5O6
Mol. Mass.:
733.8949
SMILES:
COC(=O)N[C@H](C(=O)NN(CCC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1cccnc1)C(C)(C)C |r|
Structure:
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