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TargetProtease
LigandBDBM8125
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1709400
IC50 0.060000±n/a nM
Citation Bai, XYang, ZZhu, MDong, BZhou, LZhang, GWang, JWang, 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 Chem137:30-44 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Protease
Name:Protease
Synonyms:n/a
Type:Enzyme
Mol. Mass.:10904.79
Organism:Human immunodeficiency virus 1 (HIV-1)
Description:Q9YQ12
Residue:99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM8125
NameBDBM8125
Synonyms:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate | CHEMBL1323 | Darunavir | Darunavir (DRV) | TMC-114 | UIC-94017 | US10806794, Compound Darunavir
TypeSmall organic molecule
Emp. Form.C27H37N3O7S
Mol. Mass.547.664
SMILES[H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
Structure
n/a