Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM4129
Substrate
HIV Protease Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
IC50
0.6±n/a nM
Citation
 Takashiro, E; Hayakawa, I; Nitta, T; Kasuya, A; Miyamoto, S; Ozawa, Y; Yagi, R; Yamamoto, I; Shibayama, T; Nakagawa, A; Yabe, Y Structure-activity relationship of HIV-1 protease inhibitors containing alpha-hydroxy-beta-amino acids. Detailed study of P1 site. Bioorg Med Chem 7:2063-72 (1999) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [489-587]
Synonyms:
HIV-1 Protease
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM4129
Synonyms:
(2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(3-fluorophenyl)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]butanoyl]pyrrolidine-2-carboxamide | (3-Hydroxy-2-methylbenzoyl)-{2(S)-hydroxy-3(S)-amino-4-(3-fluoro)-phenylbutanoyl}-4(S)-Cl-Pro-NH-t-Bu | AHPBA deriv. 14
Type:
Small organic molecule
Emp. Form.:
C27H33ClFN3O5
Mol. Mass.:
534.019
SMILES:
Cc1c(O)cccc1C(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV Protease Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2686.50
Organism:
n/a
Description:
n/a
Residue:
24
Sequence:
ACSERGLNASNTYRPRILEVALNH