Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,N526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L]
Ligand
BDBM9117
Substrate
HIV Protease Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
IC50
7.4±n/a nM
Citation
 Kim, RM; Rouse, EA; Chapman, KT; Schleif, WA; Olsen, DB; Stahlhut, M; Rutkowski, CA; Emini, EA; Tata, JR P1' oxadiazole protease inhibitors with excellent activity against native and protease inhibitor-resistant HIV-1. Bioorg Med Chem Lett 14:4651-4 (2004) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,N526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L]
Synonyms:
HIV-1 Protease Mutant (L10I/M36I/N37D/M46I/R57K/L63P/A71V/G73S/I84V/L90M/I93L) | HIV-1 Protease Mutant V-18C
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,N526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L]
Synonyms:
HIV-1 Protease Mutant V-18C Chain A | HIV-1 Protease Mutant V-18C Chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10805.20
Organism:
Human immunodeficiency virus type 1
Description:
L10I/M36I/N37D/M46I/R57K/L63P/A71V/G73S/I84V/L90M/I93L
Residue:
99
Sequence:
PQITLWKRPIVTIKIGGQLKEALLDTGADDTVLEEIDLPGRWKPKIIGGIGGFIKVKQYDQIPIEICGHKVISTVLVGPTPVNVIGRNLMTQLGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,N526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L]
Synonyms:
HIV-1 Protease Mutant V-18C Chain A | HIV-1 Protease Mutant V-18C Chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10805.20
Organism:
Human immunodeficiency virus type 1
Description:
L10I/M36I/N37D/M46I/R57K/L63P/A71V/G73S/I84V/L90M/I93L
Residue:
99
Sequence:
PQITLWKRPIVTIKIGGQLKEALLDTGADDTVLEEIDLPGRWKPKIIGGIGGFIKVKQYDQIPIEICGHKVISTVLVGPTPVNVIGRNLMTQLGCTLNF
  
Inhibitor
Name:
BDBM9117
Synonyms:
(2S)-1-[(2S,4S)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}-4-(1,3,4-oxadiazol-2-ylmethyl)butyl]-4-{2-[5-(5-methoxypyridin-3-yl)-1,3-oxazol-2-yl]propan-2-yl}-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide | 1,3,4-oxadiazole analog 25
Type:
Small organic molecule
Emp. Form.:
C36H43F3N8O8
Mol. Mass.:
772.7706
SMILES:
COc1cncc(c1)-c1cnc(o1)C(C)(C)N1CCN(C[C@@H](O)C[C@@H](Cc2nnco2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV Protease Peptide Substrate
Synonyms:
HIV Protease Substrate
Type:
Peptide
Mol. Mass.:
2715.95
Organism:
n/a
Description:
n/a
Residue:
25
Sequence:
VSQNETANAPHTHYLALANINEPIV