Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50572548
Substrate
n/a
Meas. Tech.
ChEMBL_2117265 (CHEMBL4826331)
IC50
0.081000±n/a nM
Citation
 Zhu, M; Shan, Q; Ma, L; Wen, J; Dong, B; Zhang, G; Wang, M; Wang, J; Zhou, J; Cen, S; Wang, Y Design and biological evaluation of cinnamic and phenylpropionic amide derivatives as novel dual inhibitors of HIV-1 protease and reverse transcriptase. Eur J Med Chem 220:0 (2021) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50572548
Synonyms:
CHEMBL4865743
Type:
Small organic molecule
Emp. Form.:
C29H37N3O7S
Mol. Mass.:
571.685
SMILES:
COc1ccc(cn1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)c(O)c1 |r|
Structure:
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