Reaction Details Report a problem with these data
Target
HIV-1 protease
Ligand
BDBM50489369
Substrate
n/a
Meas. Tech.
ChEMBL_937802 (CHEMBL2318056)
Ki
3.5±n/a nM
Citation
 Zhang, H; Wang, YF; Shen, CH; Agniswamy, J; Rao, KV; Xu, CX; Ghosh, AK; Harrison, RW; Weber, IT Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease. J Med Chem 56:1074-83 (2013) [PubMed]  Article 
Target
Name:
HIV-1 protease
Synonyms:
HIV-1 | HIV-1 protease | protease
Type:
PROTEIN
Mol. Mass.:
10795.19
Organism:
Human immunodeficiency virus
Description:
ChEMBL_118439
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLIGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50489369
Synonyms:
CHEMBL1232930 | GRL-0519
Type:
Small organic molecule
Emp. Form.:
C30H40N2O9S
Mol. Mass.:
604.712
SMILES:
[H][C@@]12OCC[C@]1([H])[C@@]1([H])[C@H](CO[C@@]1([H])O2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Structure:
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