Target
Protease
Ligand
BDBM50528150
Substrate
n/a
Meas. Tech.
ChEMBL_1904492 (CHEMBL4406714)
Ki
0.008000±n/a nM
Citation
 Ghosh, AKKovela, SOsswald, HLAmano, MAoki, MAgniswamy, JWang, YFWeber, ITMitsuya, H Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies. J Med Chem 63:4867-4879 (2020) [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:
BDBM50528150
Synonyms:
CHEMBL4449179
Type:
Small organic molecule
Emp. Form.:
C33H41FN4O7S2
Mol. Mass.:
688.83
SMILES:
[H][C@@]12CO[C@]3([H])OC(C[C@]13[H])C(C2)OC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1 |r,TLB:13:11:4.6:8,2:1:4.6:8,THB:3:4:1.11.12:8|
Structure:
Search PDB for entries with ligand similarity: