Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50270590
Substrate
n/a
Meas. Tech.
ChEMBL_1709400 (CHEMBL4119449)
IC50
4.3±n/a nM
Citation
 Bai, X; Yang, Z; Zhu, M; Dong, B; Zhou, L; Zhang, G; Wang, J; Wang, Y Design and synthesis of potent HIV-1 protease inhibitors with (S)-tetrahydrofuran-tertiary amine-acetamide as P2-ligand: Structure-activity studies and biological evaluation. Eur J Med Chem 137:30-44 (2017) [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:
BDBM50270590
Synonyms:
CHEMBL4125989
Type:
Small organic molecule
Emp. Form.:
C30H45N3O7S
Mol. Mass.:
591.759
SMILES:
COCCN(CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1)[C@H]1CCOC1 |r|
Structure:
Search PDB for entries with ligand similarity: