Target
Gag-Pol polyprotein [484-582,Q491K,I497V,V499I,E519D,G532V,I538V,R541K,D544E,L547P,Q553K,V566A,L573M]
Ligand
BDBM8125
Substrate
n/a
Meas. Tech.
HIV-1 protease inhibition assay
pH
4.7±n/a
Temperature
298.15±n/a K
Ki
0.025±0.030 nM
Comments
extracted
Citation
 Nalam, MNAli, AReddy, GSCao, HAnjum, SGAltman, MDYilmaz, NKTidor, BRana, TMSchiffer, CA Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem Biol 20:1116-24 (2013) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [484-582,Q491K,I497V,V499I,E519D,G532V,I538V,R541K,D544E,L547P,Q553K,V566A,L573M]
Synonyms:
HIV-1 protease M1 | POL_HV196 | gag-pol
Type:
Protein
Mol. Mass.:
10742.69
Organism:
Human immunodeficiency virus
Description:
HIV-1 protease mutant (L10I, G48V, I54V, L63P, V82A)
Residue:
99
Sequence:
PQITLWKRPIVTVKIGGQLREALLDTGADDTVLEDINLPGKWKPKMIVGIGGFVKVKQYEQVPIEICGKKAIGTVLVGPTPANIIGRNMLTQIGCTLNF
  
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:
Search PDB for entries with ligand similarity: