Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM4240
Substrate
HIV Protease Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
IC50
11±n/a nM
Citation
 Takashiro, E; Watanabe, T; Nitta, T; Kasuya, A; Miyamoto, S; Ozawa, Y; Yagi, R; Nishigaki, T; Shibayama, T; Nakagawa, A; Iwamoto, A; Yabe, Y Structure-activity relationship of HIV-1 protease inhibitors containing AHPBA. Part III: Modification of P2 site. Bioorg Med Chem 6:595-604 (1998) [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:
BDBM4240
Synonyms:
1,1-dioxo--thiolan-3-yl N-[(2S,3S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)-4-chloropyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate | AHPBA 9 | [3(R,S) - (1,1 - Dioxo - tetrahydrothiophenyl)oxy]carbonyl-(2S,3S)-AHPBA-4(S)-Cl-Pro-NH-t-Bu
Type:
Small organic molecule
Emp. Form.:
C24H34ClN3O7S
Mol. Mass.:
544.061
SMILES:
CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCS(=O)(=O)C1 |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