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Target
Protease
Ligand
BDBM8125
Substrate
n/a
Meas. Tech.
ChEMBL_1721669 (CHEMBL4136669)
IC50
0.013±n/a nM
Citation
 Bungard, CJ; Williams, PD; Schulz, J; Wiscount, CM; Holloway, MK; Loughran, HM; Manikowski, JJ; Su, HP; Bennett, DJ; Chang, L; Chu, XJ; Crespo, A; Dwyer, MP; Keertikar, K; Morriello, GJ; Stamford, AW; Waddell, ST; Zhong, B; Hu, B; Ji, T; Diamond, TL; Bahnck-Teets, C; Carroll, SS; Fay, JF; Min, X; Morris, W; Ballard, JE; Miller, MD; McCauley, JA Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors. ACS Med Chem Lett 8:1292-1297 (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:
BDBM8125
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
Type:
Small 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:
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